3-(2,5-dimethylpyrrolidin-1-yl)piperidine dihydrochloride

• ChemBase ID: 260133
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(C(CCC1C)C)C1CNCCC1.Cl.Cl
• Canonical SMILES: CC1CCC(N1C1CCCNC1)C.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-9-5-6-10(2)13(9)11-4-3-7-12-8-11;;/h9-12H,3-8H2,1-2H3;2*1H
• InChIKey: JAHSBWKJKAGUHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethylpyrrolidin-1-yl)piperidine dihydrochloride
• IUPAC Traditional name: 3-(2,5-dimethylpyrrolidin-1-yl)piperidine dihydrochloride
• Synonyms: 3-(2,5-dimethylpyrrolidin-1-yl)piperidine dihydrochloride

Database IDs

• MDL Number: MFCD12197126
• PubChem SID: 164316043
• PubChem CID: 45791504

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7377534
• LogD (pH = 7.4): -1.4200453
• Log P: 1.5302781
• Molar Refractivity: 56.3023 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 290 - 292°C
• Hydrophobicity(logP): 1.612

Product Information

• Purity: 95%