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

• ChemBase ID: 307025
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1(CC(CO)CCC1)C(C)C
• Canonical SMILES: OCC1CCCN(C1)C(C)C
• InChI: InChI=1S/C9H19NO/c1-8(2)10-5-3-4-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3
• InChIKey: LZXLHLSTUPFULX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 752970-45-9
• MDL Number: MFCD08059813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.67007
• LogD (pH = 7.4): -1.7104954
• Log P: 0.7837695
• Molar Refractivity: 47.599 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2