1-(5-chloropyridin-2-yl)piperidin-4-ol

• ChemBase ID: 275683
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: N1(c2ncc(cc2)Cl)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1ccc(cn1)Cl
• InChI: InChI=1S/C10H13ClN2O/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13/h1-2,7,9,14H,3-6H2
• InChIKey: KCSIKVOTFWXEPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-chloropyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(5-chloropyridin-2-yl)piperidin-4-ol
• Synonyms: 1-(5-chloropyridin-2-yl)piperidin-4-ol

Database IDs

• MDL Number: MFCD01471620
• PubChem SID: 164331593
• PubChem CID: 29997198

CALCULATED PROPERTIES

• Acid pKa: 15.177715
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3462185
• LogD (pH = 7.4): 1.3797333
• Log P: 1.380179
• Molar Refractivity: 57.1723 cm^3
• Polarizability: 21.560375 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.743

Product Information

• Purity: 95%