2-(piperidin-4-yl)ethyl cyclopropanecarboxylate hydrochloride

• ChemBase ID: 45818
• Molecular Formular: C11H20ClNO2
• Molecular Mass: 233.735
• Monoisotopic Mass: 233.11825657
• SMILES: C1(C(=O)OCCC2CCNCC2)CC1.Cl
• Canonical SMILES: O=C(C1CC1)OCCC1CCNCC1.Cl
• InChI: InChI=1S/C11H19NO2.ClH/c13-11(10-1-2-10)14-8-5-9-3-6-12-7-4-9;/h9-10,12H,1-8H2;1H
• InChIKey: VFYHUPGOZTTYKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)ethyl cyclopropanecarboxylate hydrochloride
• IUPAC Traditional name: 2-(piperidin-4-yl)ethyl cyclopropanecarboxylate hydrochloride
• Synonyms: 2-(4-Piperidinyl)ethyl cyclopropanecarboxylate hydrochloride

Database IDs

• MDL Number: MFCD13559807
• PubChem SID: 162050581
• PubChem CID: 56829552

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0582674
• LogD (pH = 7.4): -1.6018773
• Log P: 1.1733184
• Molar Refractivity: 54.4644 cm^3
• Polarizability: 21.825024 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