2-ethyl-1-(piperidine-3-carbonyl)piperidine hydrochloride

• ChemBase ID: 48978
• Molecular Formular: C13H25ClN2O
• Molecular Mass: 260.8034
• Monoisotopic Mass: 260.16554111
• SMILES: C(=O)(N1C(CC)CCCC1)C1CNCCC1.Cl
• Canonical SMILES: CCC1CCCCN1C(=O)C1CCCNC1.Cl
• InChI: InChI=1S/C13H24N2O.ClH/c1-2-12-7-3-4-9-15(12)13(16)11-6-5-8-14-10-11;/h11-12,14H,2-10H2,1H3;1H
• InChIKey: HCDYDEOLMINUTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-(piperidine-3-carbonyl)piperidine hydrochloride
• IUPAC Traditional name: 2-ethyl-1-(piperidine-3-carbonyl)piperidine hydrochloride
• Synonyms: (2-Ethyl-1-piperidinyl)(3-piperidinyl)methanone hydrochloride

Database IDs

• MDL Number: MFCD13562212
• PubChem SID: 162053741
• PubChem CID: 56831925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7199837
• LogD (pH = 7.4): -0.70154476
• Log P: 1.4660127
• Molar Refractivity: 65.6217 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