2,4-bis(piperidin-1-yl)aniline

• ChemBase ID: 11622
• Molecular Formular: C16H25N3
• Molecular Mass: 259.3898
• Monoisotopic Mass: 259.20484782
• SMILES: c1(cc(N2CCCCC2)ccc1N)N1CCCCC1
• Canonical SMILES: Nc1ccc(cc1N1CCCCC1)N1CCCCC1
• InChI: InChI=1S/C16H25N3/c17-15-8-7-14(18-9-3-1-4-10-18)13-16(15)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12,17H2
• InChIKey: CHRDROHURUMVLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(piperidin-1-yl)aniline
• IUPAC Traditional name: 2,4-bis(piperidin-1-yl)aniline
• Synonyms: 2,4-Di-piperidin-1-yl-phenylamine

Database IDs

• MDL Number: MFCD03446197
• PubChem SID: 160974929
• PubChem CID: 655480

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2140803
• LogD (pH = 7.4): 2.7757616
• Log P: 3.0611398
• Molar Refractivity: 83.8996 cm^3
• Polarizability: 30.718546 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false