1-(pyrrolidin-3-yl)piperidine dihydrochloride

• ChemBase ID: 48037
• Molecular Formular: C9H20Cl2N2
• Molecular Mass: 227.1745
• Monoisotopic Mass: 226.10035401
• SMILES: N1(C2CCNC2)CCCCC1.Cl.Cl
• Canonical SMILES: C1CCN(CC1)C1CNCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2.2ClH/c1-2-6-11(7-3-1)9-4-5-10-8-9;;/h9-10H,1-8H2;2*1H
• InChIKey: GDPYVOIPMPHKGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-3-yl)piperidine dihydrochloride
• IUPAC Traditional name: 1-(pyrrolidin-3-yl)piperidine dihydrochloride
• Synonyms: 1-(3-Pyrrolidinyl)piperidine dihydrochloride

Database IDs

• MDL Number: MFCD13561582
• PubChem SID: 162052800
• PubChem CID: 53407978

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0637782
• LogD (pH = 7.4): -2.400741
• Log P: 0.62433404
• Molar Refractivity: 47.4211 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false