2-ethyl-1-(piperidine-2-carbonyl)piperidine hydrochloride

• ChemBase ID: 48949
• Molecular Formular: C13H25ClN2O
• Molecular Mass: 260.8034
• Monoisotopic Mass: 260.16554111
• SMILES: N1(C(=O)C2NCCCC2)C(CC)CCCC1.Cl
• Canonical SMILES: CCC1CCCCN1C(=O)C1CCCCN1.Cl
• InChI: InChI=1S/C13H24N2O.ClH/c1-2-11-7-4-6-10-15(11)13(16)12-8-3-5-9-14-12;/h11-12,14H,2-10H2,1H3;1H
• InChIKey: WBNFNYPXXOTQEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-(piperidine-2-carbonyl)piperidine hydrochloride
• IUPAC Traditional name: 2-ethyl-1-(piperidine-2-carbonyl)piperidine hydrochloride
• Synonyms: (2-Ethyl-1-piperidinyl)(2-piperidinyl)methanone hydrochloride

Database IDs

• MDL Number: MFCD13562190
• PubChem SID: 162053712
• PubChem CID: 56831910

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2325633
• LogD (pH = 7.4): 0.27884442
• Log P: 1.7773004
• Molar Refractivity: 65.3657 cm^3
• Polarizability: 25.950315 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false