1-(piperidine-1-carbonyl)piperidin-4-amine hydrochloride

• ChemBase ID: 55505
• Molecular Formular: C11H22ClN3O
• Molecular Mass: 247.76488
• Monoisotopic Mass: 247.14514002
• SMILES: C1CCCN(C1)C(=O)N1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)N1CCCCC1.Cl
• InChI: InChI=1S/C11H21N3O.ClH/c12-10-4-8-14(9-5-10)11(15)13-6-2-1-3-7-13;/h10H,1-9,12H2;1H
• InChIKey: LKJDOYGBLHQIEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-1-carbonyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(piperidine-1-carbonyl)piperidin-4-amine hydrochloride
• Synonyms: 1-(Piperidin-1-ylcarbonyl)piperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD18071273
• PubChem SID: 162060268
• PubChem CID: 53256234

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4254112
• LogD (pH = 7.4): -2.8564427
• Log P: -0.40758568
• Molar Refractivity: 60.2532 cm^3
• Polarizability: 23.405476 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false