N-butyl-1-methylpiperidin-4-amine

• ChemBase ID: 35744
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CCC(CC1)NCCCC)C
• Canonical SMILES: CCCCNC1CCN(CC1)C
• InChI: InChI=1S/C10H22N2/c1-3-4-7-11-10-5-8-12(2)9-6-10/h10-11H,3-9H2,1-2H3
• InChIKey: XUTYYTFCEDKHFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-butyl-1-methylpiperidin-4-amine
• Synonyms: N-Butyl-1-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11142437
• PubChem SID: 160999051
• PubChem CID: 18723383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0241575
• LogD (pH = 7.4): -2.1935885
• Log P: 1.1578267
• Molar Refractivity: 54.0181 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false