3-(2,6-dimethylpiperidin-1-yl)propan-1-ol

• ChemBase ID: 25133
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: N1(C(CCCC1C)C)CCCO
• Canonical SMILES: OCCCN1C(C)CCCC1C
• InChI: InChI=1S/C10H21NO/c1-9-5-3-6-10(2)11(9)7-4-8-12/h9-10,12H,3-8H2,1-2H3
• InChIKey: CRDBTWHALLRFOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
• IUPAC Traditional name: 3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
• Synonyms: 3-(2,6-Dimethylpiperidin-1-yl)propan-1-ol

Database IDs

• MDL Number: MFCD06637419
• PubChem SID: 160988440
• PubChem CID: 11971084

CALCULATED PROPERTIES

• Acid pKa: 15.933344
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2327049
• LogD (pH = 7.4): -1.4998593
• Log P: 1.2435434
• Molar Refractivity: 52.1254 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