(1,3-dimethylpiperidin-3-yl)methanol

• ChemBase ID: 144026
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: CC1(CCCN(C1)C)CO
• Canonical SMILES: OCC1(C)CCCN(C1)C
• InChI: InChI=1S/C8H17NO/c1-8(7-10)4-3-5-9(2)6-8/h10H,3-7H2,1-2H3
• InChIKey: LIPHTBOSXYCXFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,3-dimethylpiperidin-3-yl)methanol
• IUPAC Traditional name: (1,3-dimethylpiperidin-3-yl)methanol
• Synonyms: (1,3-Dimethylpiperidin-3-yl)methanol; (1,3-dimethylpiperidin-3-yl)methanol

Database IDs

• CAS Number: 915925-11-0
• MDL Number: MFCD08060045
• PubChem SID: 162238243
• PubChem CID: 44827703

CALCULATED PROPERTIES

• Acid pKa: 15.079772
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7792158
• LogD (pH = 7.4): -1.2794291
• Log P: 0.5027381
• Molar Refractivity: 42.7745 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H17NO

DETAILS

Sigma Aldrich - CBR00480

Other Notes
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