(cyclopropylmethyl)({2-[4-(3-methylphenyl)piperazin-1-yl]ethyl})amine dihydrochloride

• ChemBase ID: 246140
• Molecular Formular: C17H29Cl2N3
• Molecular Mass: 346.33826
• Monoisotopic Mass: 345.1738533
• SMILES: N1(c2cc(ccc2)C)CCN(CC1)CCNCC1CC1.Cl.Cl
• Canonical SMILES: Cc1cccc(c1)N1CCN(CC1)CCNCC1CC1.Cl.Cl
• InChI: InChI=1S/C17H27N3.2ClH/c1-15-3-2-4-17(13-15)20-11-9-19(10-12-20)8-7-18-14-16-5-6-16;;/h2-4,13,16,18H,5-12,14H2,1H3;2*1H
• InChIKey: BRUXTYFOLUAGPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)({2-[4-(3-methylphenyl)piperazin-1-yl]ethyl})amine dihydrochloride
• IUPAC Traditional name: (cyclopropylmethyl)({2-[4-(3-methylphenyl)piperazin-1-yl]ethyl})amine dihydrochloride
• Synonyms: (cyclopropylmethyl)({2-[4-(3-methylphenyl)piperazin-1-yl]ethyl})amine dihydrochloride

Database IDs

• MDL Number: MFCD23144228
• PubChem SID: 164302050
• PubChem CID: 71757891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.59638137
• LogD (pH = 7.4): 0.18771146
• Log P: 2.8580046
• Molar Refractivity: 86.2443 cm^3
• Polarizability: 33.28337 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.34

Product Information

• Purity: 95%