4-butylpiperidine

• ChemBase ID: 812348
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C1(CCNCC1)CCCC
• Canonical SMILES: CCCCC1CCNCC1
• InChI: InChI=1S/C9H19N/c1-2-3-4-9-5-7-10-8-6-9/h9-10H,2-8H2,1H3
• InChIKey: XIQSPCJCAJVNJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-butylpiperidine
• IUPAC Traditional name: 4-butylpiperidine
• Synonyms: 4-BUTYLPIPERIDINE

Database IDs

• CAS Number: 24152-39-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.95337576
• LogD (pH = 7.4): -0.49705973
• Log P: 2.2782128
• Molar Refractivity: 45.187 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%