1-N-methyl-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine

• ChemBase ID: 261140
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: N(C1CCN(CC1)C)(c1ccc(N)cc1)C
• Canonical SMILES: CN(c1ccc(cc1)N)C1CCN(CC1)C
• InChI: InChI=1S/C13H21N3/c1-15-9-7-13(8-10-15)16(2)12-5-3-11(14)4-6-12/h3-6,13H,7-10,14H2,1-2H3
• InChIKey: GHNDYFMUVKHEHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-methyl-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
• IUPAC Traditional name: 1-N-methyl-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
• Synonyms: 1-N-methyl-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine

Database IDs

• MDL Number: MFCD07365104
• PubChem SID: 164317050
• PubChem CID: 16795276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.450815
• LogD (pH = 7.4): -0.25259787
• Log P: 1.2791698
• Molar Refractivity: 70.6381 cm^3
• Polarizability: 26.316813 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 1.138

Product Information

• Purity: 95%