4-methylpiperidin-3-ol hydrochloride

• ChemBase ID: 246621
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: N1CC(C(CC1)C)O.Cl
• Canonical SMILES: CC1CCNCC1O.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-5-2-3-7-4-6(5)8;/h5-8H,2-4H2,1H3;1H
• InChIKey: GZSCYLJBBWUCBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperidin-3-ol hydrochloride
• IUPAC Traditional name: 4-methylpiperidin-3-ol hydrochloride
• Synonyms: 4-methylpiperidin-3-ol hydrochloride

Database IDs

• MDL Number: MFCD23105973
• PubChem SID: 164302531
• PubChem CID: 21955242

CALCULATED PROPERTIES

• Acid pKa: 14.595604
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.252057
• LogD (pH = 7.4): -2.3349326
• Log P: -0.05244312
• Molar Refractivity: 32.6685 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.151

Product Information

• Purity: 95%