methyl 2-(piperidin-2-yl)acetate hydrochloride

• ChemBase ID: 24737
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(C(=O)OC)C1NCCCC1.Cl
• Canonical SMILES: COC(=O)CC1CCCCN1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-7-4-2-3-5-9-7;/h7,9H,2-6H2,1H3;1H
• InChIKey: KGLWWMPBPHRIHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(piperidin-2-yl)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(piperidin-2-yl)acetate hydrochloride
• Synonyms: Methyl piperidin-2-yl acetate hydrochloride

Database IDs

• MDL Number: MFCD02667637
• PubChem SID: 160988044
• PubChem CID: 13778732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5666215
• LogD (pH = 7.4): -1.3475978
• Log P: 0.57814485
• Molar Refractivity: 42.0587 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false