3-(3,5-dimethylpiperidin-1-yl)propan-1-ol

• ChemBase ID: 25134
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: N1(CC(CC(C1)C)C)CCCO
• Canonical SMILES: OCCCN1CC(C)CC(C1)C
• InChI: InChI=1S/C10H21NO/c1-9-6-10(2)8-11(7-9)4-3-5-12/h9-10,12H,3-8H2,1-2H3
• InChIKey: DMDOZRIHHKQUFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
• IUPAC Traditional name: 3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
• Synonyms: 3-(3,5-Dimethylpiperidin-1-yl)propan-1-ol

Database IDs

• CAS Number: 110514-23-3
• MDL Number: MFCD08691661
• PubChem SID: 160988441
• PubChem CID: 23150277

CALCULATED PROPERTIES

• Acid pKa: 15.933374
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.333381
• LogD (pH = 7.4): -1.5674226
• Log P: 1.140339
• Molar Refractivity: 52.231 cm^3
• Polarizability: 20.570166 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false