ethyl 2-(piperidin-3-yl)acetate hydrochloride

• ChemBase ID: 33201
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: C(=O)(CC1CNCCC1)OCC.Cl
• Canonical SMILES: CCOC(=O)CC1CCCNC1.Cl
• InChI: InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)6-8-4-3-5-10-7-8;/h8,10H,2-7H2,1H3;1H
• InChIKey: NUFQPPPCFKZWRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(piperidin-3-yl)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(piperidin-3-yl)acetate hydrochloride
• Synonyms: Ethyl piperidin-3-ylacetate hydrochloride

Database IDs

• MDL Number: MFCD08059314
• PubChem SID: 160996508
• PubChem CID: 44118456

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.557605
• LogD (pH = 7.4): -1.7101709
• Log P: 0.6494894
• Molar Refractivity: 47.0911 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false