piperidin-3-yl cyclopropanecarboxylate hydrochloride

• ChemBase ID: 45813
• Molecular Formular: C9H16ClNO2
• Molecular Mass: 205.68184
• Monoisotopic Mass: 205.08695644
• SMILES: C(=O)(C1CC1)OC1CNCCC1.Cl
• Canonical SMILES: O=C(C1CC1)OC1CCCNC1.Cl
• InChI: InChI=1S/C9H15NO2.ClH/c11-9(7-3-4-7)12-8-2-1-5-10-6-8;/h7-8,10H,1-6H2;1H
• InChIKey: DKNMNFLZCSQBDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13559802
• PubChem SID: 162050576
• PubChem CID: 56829544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3235335
• LogD (pH = 7.4): -1.0448784
• Log P: 0.80350566
• Molar Refractivity: 44.7476 cm^3
• Polarizability: 18.148947 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