2-(piperidin-2-yl)ethyl cyclopentanecarboxylate hydrochloride

• ChemBase ID: 45860
• Molecular Formular: C13H24ClNO2
• Molecular Mass: 261.78816
• Monoisotopic Mass: 261.14955669
• SMILES: C(=O)(C1CCCC1)OCCC1NCCCC1.Cl
• Canonical SMILES: O=C(C1CCCC1)OCCC1CCCCN1.Cl
• InChI: InChI=1S/C13H23NO2.ClH/c15-13(11-5-1-2-6-11)16-10-8-12-7-3-4-9-14-12;/h11-12,14H,1-10H2;1H
• InChIKey: SWZIJAYGMMNPAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-2-yl)ethyl cyclopentanecarboxylate hydrochloride
• IUPAC Traditional name: 2-(piperidin-2-yl)ethyl cyclopentanecarboxylate hydrochloride
• Synonyms: 2-(2-Piperidinyl)ethyl cyclopentanecarboxylate hydrochloride

Database IDs

• MDL Number: MFCD13559835
• PubChem SID: 162050623
• PubChem CID: 56829590

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0343732
• LogD (pH = 7.4): -0.5768839
• Log P: 2.1971714
• Molar Refractivity: 63.416 cm^3
• Polarizability: 25.505747 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false