4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine dihydrochloride

• ChemBase ID: 48160
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(CC2CNCC2)CCC(CC1)C.Cl.Cl
• Canonical SMILES: CC1CCN(CC1)CC1CNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-10-3-6-13(7-4-10)9-11-2-5-12-8-11;;/h10-12H,2-9H2,1H3;2*1H
• InChIKey: RLBCGHMXGNDLCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine dihydrochloride
• IUPAC Traditional name: 4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine dihydrochloride
• Synonyms: 4-Methyl-1-(3-pyrrolidinylmethyl)piperidine dihydrochloride

Database IDs

• MDL Number: MFCD13561700
• PubChem SID: 162052923
• PubChem CID: 56831720

CALCULATED PROPERTIES

• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2811956
• LogD (pH = 7.4): -3.5274756
• Log P: 1.0289017
• Molar Refractivity: 56.9533 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false