3-(piperidin-3-yl)propan-1-ol

• ChemBase ID: 143690
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1CC(CNC1)CCCO
• Canonical SMILES: OCCCC1CCCNC1
• InChI: InChI=1S/C8H17NO/c10-6-2-4-8-3-1-5-9-7-8/h8-10H,1-7H2
• InChIKey: CHCGEJVYCWSXML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-3-yl)propan-1-ol
• IUPAC Traditional name: 3-(piperidin-3-yl)propan-1-ol
• Synonyms: 3-Piperidin-3-ylpropan-1-ol; 3-piperidin-3-ylpropan-1-ol

Database IDs

• CAS Number: 25175-58-0
• MDL Number: MFCD06408777
• PubChem SID: 162237907
• PubChem CID: 4712476

CALCULATED PROPERTIES

• Acid pKa: 16.785685
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7594633
• LogD (pH = 7.4): -2.3853676
• Log P: 0.4749192
• Molar Refractivity: 42.4377 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H17NO

DETAILS

Sigma Aldrich - CBR00005

Other Notes
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Legal Information
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