1-(cyclohex-1-en-1-yl)piperidine

• ChemBase ID: 293923
• Molecular Formular: C11H19N
• Molecular Mass: 165.27526
• Monoisotopic Mass: 165.15174961
• SMILES: C1CCN(CC1)C1=CCCCC1
• Canonical SMILES: C1CCN(CC1)C1=CCCCC1
• InChI: InChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2
• InChIKey: KPVMGWQGPJULFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohex-1-en-1-yl)piperidine
• IUPAC Traditional name: 1-(cyclohex-1-en-1-yl)piperidine
• Synonyms: 1-(Cyclohex-1-en-1-yl)piperidine; a-(1-Piperidino)cyclohexene; 1-(1-Piperidinyl)cyclohexene; 1-(1-Cyclohexen-1-yl)piperidine; 1-(1-环己烯基)哌啶

Database IDs

• CAS Number: 2981-10-4
• MDL Number: MFCD00014643
• Beilstein Number: 113990
• PubChem SID: 180679454
• PubChem CID: 18118

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.9638236
• LogD (pH = 7.4): -0.16939873
• Log P: 2.5075495
• Molar Refractivity: 54.6377 cm^3
• Polarizability: 20.450842 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-122°C/16mm
• Refractive Index: 1.5140

Safety Information

• RTECS: TM6510000
• European Hazard Symbols: X
• Risk Statements: 22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P501A

Product Information

• Purity: 95+%; 97%

REFERENCES

• For applications of enamines, see 4-(1-Cyclohexen-1-yl)morpholine, B22004.