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

• ChemBase ID: 45859
• Molecular Formular: C13H24ClNO2
• Molecular Mass: 261.78816
• Monoisotopic Mass: 261.14955669
• SMILES: C(=O)(C1CCCC1)OCCC1CNCCC1.Cl
• Canonical SMILES: O=C(C1CCCC1)OCCC1CCCNC1.Cl
• InChI: InChI=1S/C13H23NO2.ClH/c15-13(12-5-1-2-6-12)16-9-7-11-4-3-8-14-10-11;/h11-12,14H,1-10H2;1H
• InChIKey: FYRTVPBYONCFNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-3-yl)ethyl cyclopentanecarboxylate hydrochloride
• IUPAC Traditional name: 2-(piperidin-3-yl)ethyl cyclopentanecarboxylate hydrochloride
• Synonyms: 2-(3-Piperidinyl)ethyl cyclopentanecarboxylate hydrochloride

Database IDs

• MDL Number: MFCD13559834
• PubChem SID: 162050622
• PubChem CID: 56829588

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0939126
• LogD (pH = 7.4): -0.71786225
• Log P: 2.1404095
• Molar Refractivity: 63.5894 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