N-(3-ethoxypropyl)piperidine-4-carboxamide hydrochloride

• ChemBase ID: 49810
• Molecular Formular: C11H23ClN2O2
• Molecular Mass: 250.76552
• Monoisotopic Mass: 250.14480567
• SMILES: C(=O)(C1CCNCC1)NCCCOCC.Cl
• Canonical SMILES: CCOCCCNC(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C11H22N2O2.ClH/c1-2-15-9-3-6-13-11(14)10-4-7-12-8-5-10;/h10,12H,2-9H2,1H3,(H,13,14);1H
• InChIKey: RFOMJZKZJYXUSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxypropyl)piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-(3-ethoxypropyl)piperidine-4-carboxamide hydrochloride
• Synonyms: N-(3-Ethoxypropyl)-4-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562699
• PubChem SID: 162054573
• PubChem CID: 56832184

CALCULATED PROPERTIES

• Acid pKa: 16.118402
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5592148
• LogD (pH = 7.4): -2.9747863
• Log P: -0.33324218
• Molar Refractivity: 60.4517 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false