4-(piperidin-1-yl)butan-1-amine

• ChemBase ID: 30798
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCCCN)CCCCC1
• Canonical SMILES: NCCCCN1CCCCC1
• InChI: InChI=1S/C9H20N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-10H2
• InChIKey: ACOXURKIHJSMAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)butan-1-amine
• IUPAC Traditional name: 4-(piperidin-1-yl)butan-1-amine
• Synonyms: 4-Piperidin-1-yl-butylamine

Database IDs

• CAS Number: 74247-30-6
• MDL Number: MFCD03727285
• PubChem SID: 160994105
• PubChem CID: 6484144

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6723714
• LogD (pH = 7.4): -4.434549
• Log P: 0.8208742
• Molar Refractivity: 49.5899 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false