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

• ChemBase ID: 47941
• Molecular Formular: C13H28Cl2N2
• Molecular Mass: 283.28082
• Monoisotopic Mass: 282.16295427
• SMILES: N1(CC2CNCCC2)C(CC)CCCC1.Cl.Cl
• Canonical SMILES: CCC1CCCCN1CC1CCCNC1.Cl.Cl
• InChI: InChI=1S/C13H26N2.2ClH/c1-2-13-7-3-4-9-15(13)11-12-6-5-8-14-10-12;;/h12-14H,2-11H2,1H3;2*1H
• InChIKey: RRZMIVLOQGEJEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561501
• PubChem SID: 162052704
• PubChem CID: 56831549

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1768494
• LogD (pH = 7.4): -2.3152876
• Log P: 2.1255486
• Molar Refractivity: 65.9485 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false