5-(piperidin-1-yl)pent-3-yn-1-ol

• ChemBase ID: 311092
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: C(#CCCO)CN1CCCCC1
• Canonical SMILES: OCCC#CCN1CCCCC1
• InChI: InChI=1S/C10H17NO/c12-10-6-2-5-9-11-7-3-1-4-8-11/h12H,1,3-4,6-10H2
• InChIKey: VGLQDXKMJHPROT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-1-yl)pent-3-yn-1-ol
• IUPAC Traditional name: 5-(piperidin-1-yl)pent-3-yn-1-ol
• Synonyms: 5-(1-piperidinyl)-3-pentyn-1-ol

Database IDs

• CAS Number: 104580-60-1
• MDL Number: MFCD02012810

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6661307
• LogD (pH = 7.4): 0.10035915
• Log P: 1.1129388
• Molar Refractivity: 51.7408 cm^3
• Polarizability: 19.46904 Å^3
• Polar Surface Area: 23.47 Å^2