2-(pyrrolidin-1-ylmethyl)piperidine dihydrochloride

• ChemBase ID: 48177
• Molecular Formular: C10H22Cl2N2
• Molecular Mass: 241.20108
• Monoisotopic Mass: 240.11600407
• SMILES: N1(CC2NCCCC2)CCCC1.Cl.Cl
• Canonical SMILES: C1CCC(NC1)CN1CCCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2.2ClH/c1-2-6-11-10(5-1)9-12-7-3-4-8-12;;/h10-11H,1-9H2;2*1H
• InChIKey: HCHDXMQLIWGBNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-ylmethyl)piperidine dihydrochloride
• IUPAC Traditional name: 2-(pyrrolidin-1-ylmethyl)piperidine dihydrochloride
• Synonyms: 2-(1-Pyrrolidinylmethyl)piperidine dihydrochloride

Database IDs

• MDL Number: MFCD13561717
• PubChem SID: 162052940
• PubChem CID: 18915120

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9581685
• LogD (pH = 7.4): -1.7454784
• Log P: 1.1416967
• Molar Refractivity: 52.0657 cm^3
• Polarizability: 20.7646 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