2-ethyl-1-(piperidin-3-yl)piperidine dihydrochloride

• ChemBase ID: 47997
• Molecular Formular: C12H26Cl2N2
• Molecular Mass: 269.25424
• Monoisotopic Mass: 268.1473042
• SMILES: N1(C2CNCCC2)C(CC)CCCC1.Cl.Cl
• Canonical SMILES: CCC1CCCCN1C1CCCNC1.Cl.Cl
• InChI: InChI=1S/C12H24N2.2ClH/c1-2-11-6-3-4-9-14(11)12-7-5-8-13-10-12;;/h11-13H,2-10H2,1H3;2*1H
• InChIKey: HCSBQBGTIBOARQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-(piperidin-3-yl)piperidine dihydrochloride
• IUPAC Traditional name: 2-ethyl-1-(piperidin-3-yl)piperidine dihydrochloride
• Synonyms: 3-(2-Ethyl-1-piperidinyl)piperidine dihydrochloride

Database IDs

• MDL Number: MFCD13561554
• PubChem SID: 162052760
• PubChem CID: 56831586

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.136391
• LogD (pH = 7.4): -0.7670129
• Log P: 2.080794
• Molar Refractivity: 61.0085 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false