4-(naphthalen-1-ylmethyl)piperazin-1-amine

• ChemBase ID: 239798
• Molecular Formular: C15H19N3
• Molecular Mass: 241.33146
• Monoisotopic Mass: 241.15789762
• SMILES: N1(CCN(Cc2c3c(ccc2)cccc3)CC1)N
• Canonical SMILES: NN1CCN(CC1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C15H19N3/c16-18-10-8-17(9-11-18)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7H,8-12,16H2
• InChIKey: QNPZOBQZIDXWQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(naphthalen-1-ylmethyl)piperazin-1-amine
• IUPAC Traditional name: 4-(naphthalen-1-ylmethyl)piperazin-1-amine
• Synonyms: 4-(naphthalen-1-ylmethyl)piperazin-1-amine

Database IDs

• MDL Number: MFCD01909325
• PubChem SID: 164295708
• PubChem CID: 773711

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.92698145
• LogD (pH = 7.4): 0.84806406
• Log P: 1.6930493
• Molar Refractivity: 76.2904 cm^3
• Polarizability: 30.81692 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.237

Product Information

• Purity: 95%