methyl piperidine-4-carboxylate hydrochloride

• ChemBase ID: 240057
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C(=O)(C1CCNCC1)OC.Cl
• Canonical SMILES: COC(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3;1H
• InChIKey: XAVNWNCTXQDFLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 7462-86-4
• MDL Number: MFCD00190578; MFCD02667641
• PubChem SID: 164295967
• PubChem CID: 18783829

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1666908
• LogD (pH = 7.4): -2.1956143
• Log P: 0.02612623
• Molar Refractivity: 37.8444 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.206

Product Information

• Purity: 95%; 95+%