2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine

C14H22F2N4 — CID 63896312

IUPAC2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
SMILESCN1CCN(C)C(CNc2ccc(N)cc2C(F)F)C1
InChIInChI=1S/C14H22F2N4/c1-19-5-6-20(2)11(9-19)8-18-13-4-3-10(17)7-12(13)14(15)16/h3-4,7,11,14,18H,5-6,8-9,17H2,1-2H3
InChIKeyGBEQICRDSJQUHX-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.86
Rot. Bonds4

About 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine

2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine (PubChem CID 63896312) has the molecular formula C14H22F2N4 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
PubChem CID63896312
Molecular FormulaC14H22F2N4
Molecular Weight284.35 g/mol
Exact Mass284.18
IUPAC Name2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
SMILESCN1CCN(C)C(CNc2ccc(N)cc2C(F)F)C1
InChIInChI=1S/C14H22F2N4/c1-19-5-6-20(2)11(9-19)8-18-13-4-3-10(17)7-12(13)14(15)16/h3-4,7,11,14,18H,5-6,8-9,17H2,1-2H3
InChIKeyGBEQICRDSJQUHX-UHFFFAOYSA-N
XLogP1.86
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
CID 63897227
1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590423
2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 63733911
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-fluorobenzoic acid
CID 63898073
3-chloro-4-[(1,4-dimethylpiperazin-2-yl)methylamino]benzonitrile
CID 63899175
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylbenzenecarbothioamide
CID 63898429
2-(difluoromethyl)-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 63749720
2-[[4-amino-2-(difluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 64929806
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine
CID 63736165
2-amino-3-[(1,4-dimethylpiperazin-2-yl)methylamino]benzonitrile
CID 104716781
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine (CID 63896312) is 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine is CN1CCN(C)C(CNc2ccc(N)cc2C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine?
The InChIKey is GBEQICRDSJQUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4/c1-19-5-6-20(2)11(9-19)8-18-13-4-3-10(17)7-12(13)14(15)16/h3-4,7,11,14,18H,5-6,8-9,17H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine?
2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine has a molecular weight of 284.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63896312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).