piperidin-3-yl cyclobutanecarboxylate hydrochloride

• ChemBase ID: 45833
• Molecular Formular: C10H18ClNO2
• Molecular Mass: 219.70842
• Monoisotopic Mass: 219.1026065
• SMILES: C(=O)(OC1CNCCC1)C1CCC1.Cl
• Canonical SMILES: O=C(C1CCC1)OC1CCCNC1.Cl
• InChI: InChI=1S/C10H17NO2.ClH/c12-10(8-3-1-4-8)13-9-5-2-6-11-7-9;/h8-9,11H,1-7H2;1H
• InChIKey: CNDKINFJDDAMBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-yl cyclobutanecarboxylate hydrochloride
• IUPAC Traditional name: piperidin-3-yl cyclobutanecarboxylate hydrochloride
• Synonyms: 3-Piperidinyl cyclobutanecarboxylate hydrochloride

Database IDs

• MDL Number: MFCD13559815
• PubChem SID: 162050596
• PubChem CID: 53409783

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8789648
• LogD (pH = 7.4): -0.60030967
• Log P: 1.2480743
• Molar Refractivity: 49.3486 cm^3
• Polarizability: 19.986265 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