2-[2-(pyrrolidin-1-yl)ethyl]piperidine dihydrochloride

• ChemBase ID: 48063
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(CCC2NCCCC2)CCCC1.Cl.Cl
• Canonical SMILES: C1CCC(NC1)CCN1CCCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13;;/h11-12H,1-10H2;2*1H
• InChIKey: HLEDYMSHURQBJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(pyrrolidin-1-yl)ethyl]piperidine dihydrochloride
• IUPAC Traditional name: 2-[2-(pyrrolidin-1-yl)ethyl]piperidine dihydrochloride
• Synonyms: 2-[2-(1-Pyrrolidinyl)ethyl]piperidine dihydrochloride

Database IDs

• MDL Number: MFCD11841261
• PubChem SID: 162052826
• PubChem CID: 45595813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8393164
• LogD (pH = 7.4): -2.7631905
• Log P: 1.2016565
• Molar Refractivity: 56.9311 cm^3
• Polarizability: 22.610828 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