[1-(3-aminopropyl)piperidin-2-yl]methanol

• ChemBase ID: 307071
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(C(CO)CCCC1)CCCN
• Canonical SMILES: NCCCN1CCCCC1CO
• InChI: InChI=1S/C9H20N2O/c10-5-3-7-11-6-2-1-4-9(11)8-12/h9,12H,1-8,10H2
• InChIKey: XVLFXZIUUXPZHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-aminopropyl)piperidin-2-yl]methanol
• IUPAC Traditional name: [1-(3-aminopropyl)piperidin-2-yl]methanol
• Synonyms: [1-(3-aminopropyl)piperidin-2-yl]methanol

Database IDs

• CAS Number: 915919-64-1
• MDL Number: MFCD06408758

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.394646
• LogD (pH = 7.4): -4.3076143
• Log P: -0.3268234
• Molar Refractivity: 50.9078 cm^3
• Polarizability: 20.25109 Å^3
• Polar Surface Area: 49.49 Å^2