3-[4-(dimethylamino)piperidin-1-yl]propan-1-ol

• ChemBase ID: 237844
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(CCC(CC1)N(C)C)CCCO
• Canonical SMILES: OCCCN1CCC(CC1)N(C)C
• InChI: InChI=1S/C10H22N2O/c1-11(2)10-4-7-12(8-5-10)6-3-9-13/h10,13H,3-9H2,1-2H3
• InChIKey: UNURFTDVMBFHEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(dimethylamino)piperidin-1-yl]propan-1-ol
• IUPAC Traditional name: 3-[4-(dimethylamino)piperidin-1-yl]propan-1-ol
• Synonyms: 3-[4-(dimethylamino)piperidin-1-yl]propan-1-ol

Database IDs

• MDL Number: MFCD12194883
• PubChem SID: 164293754
• PubChem CID: 43430779

CALCULATED PROPERTIES

• Acid pKa: 15.933374
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.6673512
• LogD (pH = 7.4): -3.357118
• Log P: -0.41316667
• Molar Refractivity: 56.5969 cm^3
• Polarizability: 22.094809 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.421

Product Information

• Purity: 95%