[4-(hydroxymethyl)piperidin-4-yl]methanol

• ChemBase ID: 308894
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C1(CO)(CO)CCNCC1
• Canonical SMILES: OCC1(CO)CCNCC1
• InChI: InChI=1S/C7H15NO2/c9-5-7(6-10)1-3-8-4-2-7/h8-10H,1-6H2
• InChIKey: FMSBYPRMFTZLFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(hydroxymethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [4-(hydroxymethyl)piperidin-4-yl]methanol
• Synonyms: 4,4-piperidinediyldimethanol

Database IDs

• CAS Number: 848070-24-6
• MDL Number: MFCD13183943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.515174
• LogD (pH = 7.4): -3.5860603
• Log P: -1.3169885
• Molar Refractivity: 39.4085 cm^3
• Polarizability: 15.66981 Å^3
• Polar Surface Area: 52.49 Å^2