(1-methyl-1H-imidazol-2-yl)(piperidin-3-yl)methanol

• ChemBase ID: 238182
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: c1(n(ccn1)C)C(C1CNCCC1)O
• Canonical SMILES: OC(c1nccn1C)C1CCCNC1
• InChI: InChI=1S/C10H17N3O/c1-13-6-5-12-10(13)9(14)8-3-2-4-11-7-8/h5-6,8-9,11,14H,2-4,7H2,1H3
• InChIKey: QURDQNIRJVSKQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-imidazol-2-yl)(piperidin-3-yl)methanol
• IUPAC Traditional name: (1-methylimidazol-2-yl)(piperidin-3-yl)methanol
• Synonyms: (1-methyl-1H-imidazol-2-yl)(piperidin-3-yl)methanol

Database IDs

• MDL Number: MFCD22391979
• PubChem SID: 164294092
• PubChem CID: 71756115

CALCULATED PROPERTIES

• Acid pKa: 13.293625
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7099671
• LogD (pH = 7.4): -2.475795
• Log P: -0.2578595
• Molar Refractivity: 54.6733 cm^3
• Polarizability: 21.367472 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.04

Product Information

• Purity: 95%