3-(propan-2-yl)piperidine

• ChemBase ID: 307473
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N1CC(C(C)C)CCC1
• Canonical SMILES: CC(C1CCCNC1)C
• InChI: InChI=1S/C8H17N/c1-7(2)8-4-3-5-9-6-8/h7-9H,3-6H2,1-2H3
• InChIKey: FKEYLVBZOQMOOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(propan-2-yl)piperidine
• IUPAC Traditional name: 3-isopropylpiperidine
• Synonyms: 3-isopropylpiperidine

Database IDs

• CAS Number: 13603-18-4
• MDL Number: MFCD13188554

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4803368
• LogD (pH = 7.4): -1.106325
• Log P: 1.7540482
• Molar Refractivity: 40.4566 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2