1-methyl-4-(piperidin-2-ylmethyl)piperazine dihydrochloride

• ChemBase ID: 48189
• Molecular Formular: C11H25Cl2N3
• Molecular Mass: 270.2423
• Monoisotopic Mass: 269.14255318
• SMILES: N1(CC2NCCCC2)CCN(CC1)C.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)CC1CCCCN1.Cl.Cl
• InChI: InChI=1S/C11H23N3.2ClH/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12-11;;/h11-12H,2-10H2,1H3;2*1H
• InChIKey: MTPBZKRCWTWZMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidin-2-ylmethyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-methyl-4-(piperidin-2-ylmethyl)piperazine dihydrochloride
• Synonyms: 1-Methyl-4-(2-piperidinylmethyl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD13561729
• PubChem SID: 162052952
• PubChem CID: 56831749

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.1194663
• LogD (pH = 7.4): -2.645397
• Log P: 0.58301884
• Molar Refractivity: 60.5748 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false