1-(piperidin-4-yl)ethan-1-ol

• ChemBase ID: 268181
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CCC(C(O)C)CC1
• Canonical SMILES: CC(C1CCNCC1)O
• InChI: InChI=1S/C7H15NO/c1-6(9)7-2-4-8-5-3-7/h6-9H,2-5H2,1H3
• InChIKey: NDJKRLGXVKYIGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)ethan-1-ol
• IUPAC Traditional name: 1-(piperidin-4-yl)ethanol
• Synonyms: 1-(piperidin-4-yl)ethan-1-ol; 1-(4-piperidinyl)ethanol

Database IDs

• CAS Number: 6457-48-3
• MDL Number: MFCD00120611
• PubChem SID: 164324091
• PubChem CID: 338321

CALCULATED PROPERTIES

• Acid pKa: 15.26543
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2187252
• LogD (pH = 7.4): -2.5481427
• Log P: 0.0023568943
• Molar Refractivity: 37.6545 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): -0.224

Product Information

• Purity: 95%