4-(propan-2-yl)piperidine

• ChemBase ID: 307483
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N1CCC(C(C)C)CC1
• Canonical SMILES: CC(C1CCNCC1)C
• InChI: InChI=1S/C8H17N/c1-7(2)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
• InChIKey: YBPWIUSXQXYTSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)piperidine
• IUPAC Traditional name: 4-isopropylpiperidine
• Synonyms: 4-isopropylpiperidine

Database IDs

• CAS Number: 19678-58-1
• MDL Number: MFCD09055342

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5554748
• LogD (pH = 7.4): -1.0986437
• Log P: 1.6760945
• Molar Refractivity: 40.5336 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2