3-(piperidin-4-yl)propan-1-ol

• ChemBase ID: 18523
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CCC(CCCO)CC1
• Canonical SMILES: OCCCC1CCNCC1
• InChI: InChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2
• InChIKey: DBIMLJDSPUCGGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-yl)propan-1-ol
• IUPAC Traditional name: 3-(piperidin-4-yl)propan-1-ol
• Synonyms: 3-Piperidin-4-yl-propan-1-ol; 3-(Piperidin-4-yl)propan-1-ol

Database IDs

• CAS Number: 7037-49-2
• MDL Number: MFCD02178380
• PubChem SID: 160981830
• PubChem CID: 81497

CALCULATED PROPERTIES

• Acid pKa: 16.785711
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.834623
• LogD (pH = 7.4): -2.3783064
• Log P: 0.39696547
• Molar Refractivity: 42.5147 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%