1-(piperidin-4-yl)piperidine-4-carboxamide hydrochloride

• ChemBase ID: 62493
• Molecular Formular: C11H22ClN3O
• Molecular Mass: 247.76488
• Monoisotopic Mass: 247.14514002
• SMILES: N1(CCC(C(=O)N)CC1)C1CCNCC1.Cl
• Canonical SMILES: NC(=O)C1CCN(CC1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H21N3O.ClH/c12-11(15)9-3-7-14(8-4-9)10-1-5-13-6-2-10;/h9-10,13H,1-8H2,(H2,12,15);1H
• InChIKey: RONVCHKQFGWDFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)piperidine-4-carboxamide hydrochloride
• Synonyms: [1,4']Bipiperidinyl-4-carboxylic acid amide hydrochloride

Database IDs

• MDL Number: MFCD16621987
• PubChem SID: 162028232
• PubChem CID: 71298738

CALCULATED PROPERTIES

• Acid pKa: 16.713804
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.5946417
• LogD (pH = 7.4): -4.4055886
• Log P: -0.8999043
• Molar Refractivity: 60.3486 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false