1-cyclopropanecarbonyl-3-ethylpiperidin-4-amine hydrochloride

• ChemBase ID: 242585
• Molecular Formular: C11H21ClN2O
• Molecular Mass: 232.75024
• Monoisotopic Mass: 232.13424098
• SMILES: N1(C(=O)C2CC2)CC(C(CC1)N)CC.Cl
• Canonical SMILES: CCC1CN(CCC1N)C(=O)C1CC1.Cl
• InChI: InChI=1S/C11H20N2O.ClH/c1-2-8-7-13(6-5-10(8)12)11(14)9-3-4-9;/h8-10H,2-7,12H2,1H3;1H
• InChIKey: VTXPGKPXLLRJNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-3-ethylpiperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-cyclopropanecarbonyl-3-ethylpiperidin-4-amine hydrochloride
• Synonyms: 1-cyclopropanecarbonyl-3-ethylpiperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD22566070
• PubChem SID: 164298495
• PubChem CID: 71757047

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.687164
• LogD (pH = 7.4): -2.1447852
• Log P: 0.33193004
• Molar Refractivity: 56.0577 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211 - 213°C
• Hydrophobicity(logP): -0.374

Product Information

• Purity: 95%