1-butyl-4-methylpiperidine

• ChemBase ID: 18089
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N1(CCC(CC1)C)CCCC
• Canonical SMILES: CCCCN1CCC(CC1)C
• InChI: InChI=1S/C10H21N/c1-3-4-7-11-8-5-10(2)6-9-11/h10H,3-9H2,1-2H3
• InChIKey: AXMCYIWXDKWDCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-4-methylpiperidine
• IUPAC Traditional name: 1-butyl-4-methylpiperidine
• Synonyms: 1-(n-Butyl)-4-methylpiperidine

Database IDs

• MDL Number: MFCD00089157
• PubChem SID: 160981396
• PubChem CID: 4104802

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.83114755
• LogD (pH = 7.4): -0.19588841
• Log P: 2.6514537
• Molar Refractivity: 50.5523 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false