methyl 4-hydroxypiperidine-4-carboxylate hydrochloride

• ChemBase ID: 246043
• Molecular Formular: C7H14ClNO3
• Molecular Mass: 195.64396
• Monoisotopic Mass: 195.06622099
• SMILES: C(=O)(C1(CCNCC1)O)OC.Cl
• Canonical SMILES: COC(=O)C1(O)CCNCC1.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c1-11-6(9)7(10)2-4-8-5-3-7;/h8,10H,2-5H2,1H3;1H
• InChIKey: FKPJALDKKWSWBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-hydroxypiperidine-4-carboxylate hydrochloride
• IUPAC Traditional name: methyl 4-hydroxypiperidine-4-carboxylate hydrochloride
• Synonyms: methyl 4-hydroxypiperidine-4-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD11845425
• PubChem SID: 164301953
• PubChem CID: 53399175

CALCULATED PROPERTIES

• Acid pKa: 12.287245
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0780673
• LogD (pH = 7.4): -2.6347032
• Log P: -1.0227944
• Molar Refractivity: 39.3112 cm^3
• Polarizability: 15.858429 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): -0.995

Product Information

• Purity: 95%