3-[(dimethylamino)methyl]piperidin-3-ol

• ChemBase ID: 309156
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C1(CN(C)C)(O)CNCCC1
• Canonical SMILES: CN(CC1(O)CCCNC1)C
• InChI: InChI=1S/C8H18N2O/c1-10(2)7-8(11)4-3-5-9-6-8/h9,11H,3-7H2,1-2H3
• InChIKey: PFNNMDIHGDEFDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(dimethylamino)methyl]piperidin-3-ol
• IUPAC Traditional name: 3-[(dimethylamino)methyl]piperidin-3-ol
• Synonyms: 3-[(dimethylamino)methyl]-3-piperidinol

Database IDs

• MDL Number: MFCD18917048

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.8751073
• LogD (pH = 7.4): -3.4036937
• Log P: -0.4750027
• Molar Refractivity: 46.1056 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 35.5 Å^2