3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-amine

• ChemBase ID: 256215
• Molecular Formular: C14H23N3
• Molecular Mass: 233.35252
• Monoisotopic Mass: 233.18919775
• SMILES: N1(C(CN(CC1)C)c1ccccc1)CCCN
• Canonical SMILES: NCCCN1CCN(CC1c1ccccc1)C
• InChI: InChI=1S/C14H23N3/c1-16-10-11-17(9-5-8-15)14(12-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,15H2,1H3
• InChIKey: FUQKHHWJDXPBSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-amine
• Synonyms: 3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-amine

Database IDs

• MDL Number: MFCD09806291
• PubChem SID: 164312125
• PubChem CID: 20115511

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.555683
• LogD (pH = 7.4): -2.341885
• Log P: 1.0845052
• Molar Refractivity: 73.1362 cm^3
• Polarizability: 28.963518 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.139

Product Information

• Purity: 95%