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

• ChemBase ID: 263360
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(CC2CCNCC2)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)CC1CCNCC1
• InChI: InChI=1S/C11H23N3/c1-13-6-8-14(9-7-13)10-11-2-4-12-5-3-11/h11-12H,2-10H2,1H3
• InChIKey: MIRBDUREIHMEMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 735262-46-1
• MDL Number: MFCD05215221
• PubChem SID: 164319270
• PubChem CID: 23391792

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.4531045
• LogD (pH = 7.4): -4.6441245
• Log P: 0.14164798
• Molar Refractivity: 61.0126 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.531

Product Information

• Purity: 95%