1-(1-PIPERIDINO)CYCLOHEXENE CAS#: 2981-10-4; 凯望编码 (ChemWhat Code): 221579

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名1-(1-PIPERIDINO)CYCLOHEXENE
IUPAC Name1-(cyclohexen-1-yl)piperidine
分子结构1-1-PIPERIDINOCYCLOHEXENE-CAS-2981-10-4
CAS编号 2981-10-4
MDL NumberMFCD00014643
别名1-(1-piperidino)cyclohexene
2981-10-4
1-(Cyclohex-1-en-1-yl)piperidine
1-(cyclohexen-1-yl)piperidine
1-(1-Cyclohexen-1-yl)piperidine
1-(1-Cyclohexenyl)piperidine
Cyclohexenylpiperidine
1-Piperidinocyclohexene
PIPERIDINE, 1-(1-CYCLOHEXEN-1-YL)-
1-Piperidino-1-cyclohexene
N-(1-Cyclohexenyl)piperidine
1-Piperidinylcyclohexene
N-(1-Cyclohexen-1-yl)piperidine
1-(Cyclohex-1-enyl)piperidine
56361-81-0
BRN 0113990
1-(1-Piperidinyl)cyclohexene
Piperidine, 1-(cyclohexenyl)-
1-Piperidine, 1-(cyclohexenyl)-
1-cyclohexenylpiperidine
1-Cyclohexen-1-ylpiperidine
1-Cyclohex-1-enyl-piperidine
SCHEMBL497507
DTXSID70952249
KPVMGWQGPJULFL-UHFFFAOYSA-N
1-(1-Piperidinyl)cyclohex-1-ene
EV49787M4Y
CAA98110
MFCD00014643
AKOS015897876
分子式C11H19N 
分子量165.27
InChIInChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2 
InChI KeyKPVMGWQGPJULFL-UHFFFAOYSA-N
Isomeric SMILESC1CCN(CC1)C2=CCCCC2

Physical Data

Boiling Point, °CPressure (Boiling Point), Torr
1209
90 – 921
100 – 10115
115 – 1207.5
109 – 11010
110 – 11513
71 – 730.9

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C
Chemical shifts, Spectrum1Htetrahydrofuran-d824.84
Chemical shifts1Hchloroform-d1
Chemical shifts1Hchloroform-d1
Chemical shifts13Cchloroform-d1
Chemical shifts1Hchloroform-d1
Chemical shifts1HCDCl3
1HCDCl3
Description (IR Spectroscopy)Solvent (IR Spectroscopy)
Bandsneat (no solvent)
Bandsnujol
Bandsneat (no solvent)
Spectrum
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
Absorption maxima
Absorption maximahexane224.5

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1-(1-PIPERIDINO)CYCLOHEXENE CAS 2981-10-4
Route of Synthesis (ROS) of 1-(1-PIPERIDINO)CYCLOHEXENE CAS 2981-10-4
ConditionsYield
With 2-[bis(pentafluorophenyl)boryl]-N,N-dimethylaniline In benzene-d6 at 80℃; under 1500.15 Torr; for 1h; Inert atmosphere;100%
With butyl triphenylphosphonium tetraborate at 20℃; for 0.0833333h;96%
With sodium tetrahydroborate; hydrogen; nickel dichloride In isopropyl alcohol at 60℃; under 760.051 Torr; for 6h;92%

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement CodesP264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

HS Code
StorageUnder room temperature away from light
Shelf Life2 years
Market Price
Druglikeness
Lipinski rules component
分子量165.279
logP3.028
HBA1
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)3.24
Rotatable Bond (RotB)1
Matching Veber Rules2
Use Pattern
1-(1-PIPERIDINO)CYCLOHEXENE CAS#: 2981-10-4 is an intermediate of phencyclidine. Its main use is to play a key intermediate role in the synthesis of phencyclidine and help form the final drug molecule.

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