N,N-dipropylpiperidine-2-carboxamide hydrochloride

• ChemBase ID: 48947
• Molecular Formular: C12H25ClN2O
• Molecular Mass: 248.7927
• Monoisotopic Mass: 248.16554111
• SMILES: C(=O)(N(CCC)CCC)C1NCCCC1.Cl
• Canonical SMILES: CCCN(C(=O)C1CCCCN1)CCC.Cl
• InChI: InChI=1S/C12H24N2O.ClH/c1-3-9-14(10-4-2)12(15)11-7-5-6-8-13-11;/h11,13H,3-10H2,1-2H3;1H
• InChIKey: TYQVEFJSNOKZEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dipropylpiperidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dipropylpiperidine-2-carboxamide hydrochloride
• Synonyms: N,N-Dipropyl-2-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562188
• PubChem SID: 162053710
• PubChem CID: 53410673

CALCULATED PROPERTIES

• Molar Refractivity: 62.8261 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2635494
• LogD (pH = 7.4): 0.24761996
• Log P: 1.7464975

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false