1-(cyclopropylmethyl)-4-(piperidin-4-yl)piperazine

• ChemBase ID: 244400
• Molecular Formular: C13H25N3
• Molecular Mass: 223.3577
• Monoisotopic Mass: 223.20484782
• SMILES: N1(C2CCNCC2)CCN(CC2CC2)CC1
• Canonical SMILES: N1CCC(CC1)N1CCN(CC1)CC1CC1
• InChI: InChI=1S/C13H25N3/c1-2-12(1)11-15-7-9-16(10-8-15)13-3-5-14-6-4-13/h12-14H,1-11H2
• InChIKey: GPGWBUYBPSBFGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-4-(piperidin-4-yl)piperazine
• IUPAC Traditional name: 1-(cyclopropylmethyl)-4-(piperidin-4-yl)piperazine
• Synonyms: 1-(cyclopropylmethyl)-4-(piperidin-4-yl)piperazine

Database IDs

• MDL Number: MFCD16076644
• PubChem SID: 164300310
• PubChem CID: 57848224

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.825457
• LogD (pH = 7.4): -3.600856
• Log P: 0.4616245
• Molar Refractivity: 68.1366 cm^3
• Polarizability: 27.086018 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.267

Product Information

• Purity: 95%