4-(piperidin-1-yl)piperidine-1-carbonyl chloride hydrochloride

• ChemBase ID: 87190
• Molecular Formular: C11H20Cl2N2O
• Molecular Mass: 267.1953
• Monoisotopic Mass: 266.09526863
• SMILES: N1(C2CCN(CC2)C(=O)Cl)CCCCC1.Cl
• Canonical SMILES: ClC(=O)N1CCC(CC1)N1CCCCC1.Cl
• InChI: InChI=1S/C11H19ClN2O.ClH/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13;/h10H,1-9H2;1H
• InChIKey: VBXXNCHZAMNCBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)piperidine-1-carbonyl chloride hydrochloride
• IUPAC Traditional name: 4-(piperidin-1-yl)piperidine-1-carbonyl chloride hydrochloride
• Synonyms: 1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride; 1,4'-Bipiperidine-1'-carbonyl chloride hydrochloride; 1-(Chlorocarbonyl)-4-(piperidin-1-yl)piperidine hydrochloride 85%

Database IDs

• CAS Number: 143254-82-4
• MDL Number: MFCD08445613
• PubChem SID: 162074306
• PubChem CID: 11637553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.7528653
• LogD (pH = 7.4): -0.06031005
• Log P: 1.3009628
• Molar Refractivity: 62.5654 cm^3
• Polarizability: 24.143396 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%