4-[(dimethylamino)methyl]piperidin-4-ol

• ChemBase ID: 308472
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C1(CN(C)C)(CCNCC1)O
• Canonical SMILES: CN(CC1(O)CCNCC1)C
• InChI: InChI=1S/C8H18N2O/c1-10(2)7-8(11)3-5-9-6-4-8/h9,11H,3-7H2,1-2H3
• InChIKey: SVGCHZLCVBUEID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dimethylamino)methyl]piperidin-4-ol
• IUPAC Traditional name: 4-[(dimethylamino)methyl]piperidin-4-ol
• Synonyms: 4-[(dimethylamino)methyl]-4-piperidinol

Database IDs

• CAS Number: 695145-47-2
• MDL Number: MFCD10686624

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.4967914
• LogD (pH = 7.4): -5.229497
• Log P: -0.93240565
• Molar Refractivity: 46.3264 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 35.5 Å^2