1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine

• ChemBase ID: 246954
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: N1(c2ccc(N)cc2)CCC(CC1)N(C)C
• Canonical SMILES: CN(C1CCN(CC1)c1ccc(cc1)N)C
• InChI: InChI=1S/C13H21N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3-6,12H,7-10,14H2,1-2H3
• InChIKey: PFDUBQQHEHJNQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
• IUPAC Traditional name: 1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
• Synonyms: 1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11848947
• PubChem SID: 164302864
• PubChem CID: 10889414

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7439818
• LogD (pH = 7.4): -1.0878614
• Log P: 1.2791698
• Molar Refractivity: 70.6381 cm^3
• Polarizability: 26.31681 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 0.448

Product Information

• Purity: 95%