[1-(3-aminopropyl)piperidin-3-yl]methanol

• ChemBase ID: 307073
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CC(CO)CCC1)CCCN
• Canonical SMILES: NCCCN1CCCC(C1)CO
• InChI: InChI=1S/C9H20N2O/c10-4-2-6-11-5-1-3-9(7-11)8-12/h9,12H,1-8,10H2
• InChIKey: LEGYMQGRRTXEDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-aminopropyl)piperidin-3-yl]methanol
• IUPAC Traditional name: [1-(3-aminopropyl)piperidin-3-yl]methanol
• Synonyms: [1-(3-aminopropyl)piperidin-3-yl]methanol

Database IDs

• CAS Number: 100708-30-3
• MDL Number: MFCD06408783

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.268523
• LogD (pH = 7.4): -4.123866
• Log P: -0.72663754
• Molar Refractivity: 51.2468 cm^3
• Polarizability: 20.25109 Å^3
• Polar Surface Area: 49.49 Å^2