2-ethyl-1-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride

• ChemBase ID: 48139
• Molecular Formular: C14H30Cl2N2
• Molecular Mass: 297.3074
• Monoisotopic Mass: 296.17860433
• SMILES: N1(CCC2CCNCC2)C(CC)CCCC1.Cl.Cl
• Canonical SMILES: CCC1CCCCN1CCC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C14H28N2.2ClH/c1-2-14-5-3-4-11-16(14)12-8-13-6-9-15-10-7-13;;/h13-15H,2-12H2,1H3;2*1H
• InChIKey: HZUDPFIIIWJPAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride
• IUPAC Traditional name: 2-ethyl-1-[2-(piperidin-4-yl)ethyl]piperidine dihydrochloride
• Synonyms: 2-Ethyl-1-[2-(4-piperidinyl)ethyl]piperidine dihydrochloride

Database IDs

• MDL Number: MFCD13561679
• PubChem SID: 162052902
• PubChem CID: 56831704

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.251487
• LogD (pH = 7.4): -3.0796566
• Log P: 2.4506068
• Molar Refractivity: 70.7253 cm^3
• Polarizability: 28.150137 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false