{4-[(dimethylamino)methyl]piperidin-4-yl}methanol

• ChemBase ID: 309083
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: C1(CN(C)C)(CO)CCNCC1
• Canonical SMILES: OCC1(CCNCC1)CN(C)C
• InChI: InChI=1S/C9H20N2O/c1-11(2)7-9(8-12)3-5-10-6-4-9/h10,12H,3-8H2,1-2H3
• InChIKey: UCBNHNQQLATDIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(dimethylamino)methyl]piperidin-4-yl}methanol
• IUPAC Traditional name: {4-[(dimethylamino)methyl]piperidin-4-yl}methanol
• Synonyms: {4-[(dimethylamino)methyl]-4-piperidinyl}methanol

Database IDs

• MDL Number: MFCD18917021

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.125421
• LogD (pH = 7.4): -4.9575963
• Log P: -0.6082419
• Molar Refractivity: 51.1353 cm^3
• Polarizability: 20.25109 Å^3
• Polar Surface Area: 35.5 Å^2