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

• ChemBase ID: 90850
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1CCC(CC1)CCCCN
• Canonical SMILES: NCCCCC1CCNCC1
• InChI: InChI=1S/C9H20N2/c10-6-2-1-3-9-4-7-11-8-5-9/h9,11H,1-8,10H2
• InChIKey: DZEGKYXXXRHDOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)butan-1-amine
• IUPAC Traditional name: 4-(piperidin-4-yl)butan-1-amine
• Synonyms: 4-Piperidin-4-ylbutan-1-amine; 4-Aminobutylpiperidine 97%

Database IDs

• MDL Number: MFCD08235201
• PubChem SID: 162077559
• PubChem CID: 22706683

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.520924
• LogD (pH = 7.4): -4.644829
• Log P: 0.73465234
• Molar Refractivity: 48.7732 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true