1-(1,2-dimethylpiperidin-4-yl)piperazine trihydrochloride

• ChemBase ID: 244912
• Molecular Formular: C11H26Cl3N3
• Molecular Mass: 306.70324
• Monoisotopic Mass: 305.11923089
• SMILES: N1(C(CC(N2CCNCC2)CC1)C)C.Cl.Cl.Cl
• Canonical SMILES: CN1CCC(CC1C)N1CCNCC1.Cl.Cl.Cl
• InChI: InChI=1S/C11H23N3.3ClH/c1-10-9-11(3-6-13(10)2)14-7-4-12-5-8-14;;;/h10-12H,3-9H2,1-2H3;3*1H
• InChIKey: KXHHJWUJAAWOJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,2-dimethylpiperidin-4-yl)piperazine trihydrochloride
• IUPAC Traditional name: 1-(1,2-dimethylpiperidin-4-yl)piperazine trihydrochloride
• Synonyms: 1-(1,2-dimethylpiperidin-4-yl)piperazine trihydrochloride

Database IDs

• MDL Number: MFCD22741275
• PubChem SID: 164300822
• PubChem CID: 71757617

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.272435
• LogD (pH = 7.4): -3.6532555
• Log P: 0.09762226
• Molar Refractivity: 60.6134 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.079

Product Information

• Purity: 95%