piperidin-3-ylmethanol hydrochloride

• ChemBase ID: 289819
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: Cl.OCC1CCCNC1
• Canonical SMILES: OCC1CCCNC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c8-5-6-2-1-3-7-4-6;/h6-8H,1-5H2;1H
• InChIKey: VLFTUQPTEOPYGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-ylmethanol hydrochloride
• IUPAC Traditional name: piperidin-3-yl-methanol hydrochloride
• Synonyms: Piperidin-3-ylmethanol hydrochloride

Database IDs

• CAS Number: 400771-49-5
• MDL Number: MFCD08752661
• PubChem SID: 180675350
• PubChem CID: 18614345

CALCULATED PROPERTIES

• Acid pKa: 15.431922
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5895507
• LogD (pH = 7.4): -2.8573127
• Log P: -0.3726614
• Molar Refractivity: 33.1369 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%