1-(3,7-dimethyloct-6-en-1-yl)piperidine

• ChemBase ID: 181799
• Molecular Formular: C15H29N
• Molecular Mass: 223.39746
• Monoisotopic Mass: 223.22999993
• SMILES: N1(CCC(CCC=C(C)C)C)CCCCC1
• Canonical SMILES: CC(CCN1CCCCC1)CCC=C(C)C
• InChI: InChI=1S/C15H29N/c1-14(2)8-7-9-15(3)10-13-16-11-5-4-6-12-16/h8,15H,4-7,9-13H2,1-3H3
• InChIKey: IMLLYBOTKNGIAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,7-dimethyloct-6-en-1-yl)piperidine
• IUPAC Traditional name: 1-(3,7-dimethyloct-6-en-1-yl)piperidine

Database IDs

• PubChem SID: 164237709
• PubChem CID: 3592771

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.83946425
• LogD (pH = 7.4): 1.6299999
• Log P: 4.311168
• Molar Refractivity: 74.3549 cm^3
• Polarizability: 28.990093 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds