2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile

C70H95F10N15O6 — CID 173172801

IUPAC2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile
SMILESC=CCN1CCN(c2cccc(OC(F)F)c2N)CC1.CCCN1CCN(c2cccc(OC(F)F)c2C#N)CC1.CCN1CCN(c2cccc(OC(F)F)c2C#N)CC1.CCN1CCN(c2cccc(OC(F)F)c2N)CC1.COCCN1CCN(c2cccc(OC(F)F)c2N)CC1
InChIInChI=1S/C15H19F2N3O.C14H21F2N3O2.C14H17F2N3O.C14H19F2N3O.C13H19F2N3O/c1-2-6-19-7-9-20(10-8-19)13-4-3-5-14(12(13)11-18)21-15(16)17;1-20-10-9-18-5-7-19(8-6-18)11-3-2-4-12(13(11)17)21-14(15)16;1-2-18-6-8-19(9-7-18)12-4-3-5-13(11(12)10-17)20-14(15)16;1-2-6-18-7-9-19(10-8-18)11-4-3-5-12(13(11)17)20-14(15)16;1-2-17-6-8-18(9-7-17)10-4-3-5-11(12(10)16)19-13(14)15/h3-5,15H,2,6-10H2,1H3;2-4,14H,5-10,17H2,1H3;3-5,14H,2,6-9H2,1H3;2-5,14H,1,6-10,17H2;3-5,13H,2,6-9,16H2,1H3
InChIKeyNNYITADFMYLFOF-UHFFFAOYSA-N
MW1432.61 g/mol
LogP10.82
Rot. Bonds24

About 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile

2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile (PubChem CID 173172801) has the molecular formula C70H95F10N15O6 and a molecular weight of 1432.61 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile
PubChem CID173172801
Molecular FormulaC70H95F10N15O6
Molecular Weight1432.61 g/mol
Exact Mass1431.74
IUPAC Name2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile
SMILESC=CCN1CCN(c2cccc(OC(F)F)c2N)CC1.CCCN1CCN(c2cccc(OC(F)F)c2C#N)CC1.CCN1CCN(c2cccc(OC(F)F)c2C#N)CC1.CCN1CCN(c2cccc(OC(F)F)c2N)CC1.COCCN1CCN(c2cccc(OC(F)F)c2N)CC1
InChIInChI=1S/C15H19F2N3O.C14H21F2N3O2.C14H17F2N3O.C14H19F2N3O.C13H19F2N3O/c1-2-6-19-7-9-20(10-8-19)13-4-3-5-14(12(13)11-18)21-15(16)17;1-20-10-9-18-5-7-19(8-6-18)11-3-2-4-12(13(11)17)21-14(15)16;1-2-18-6-8-19(9-7-18)12-4-3-5-13(11(12)10-17)20-14(15)16;1-2-6-18-7-9-19(10-8-18)11-4-3-5-12(13(11)17)20-14(15)16;1-2-17-6-8-18(9-7-17)10-4-3-5-11(12(10)16)19-13(14)15/h3-5,15H,2,6-10H2,1H3;2-4,14H,5-10,17H2,1H3;3-5,14H,2,6-9H2,1H3;2-5,14H,1,6-10,17H2;3-5,13H,2,6-9,16H2,1H3
InChIKeyNNYITADFMYLFOF-UHFFFAOYSA-N
XLogP10.82
TPSA213.42 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.61
LogP ≤ 510.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile?
The IUPAC name of 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile (CID 173172801) is 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile.
What is the SMILES notation for 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile?
The canonical SMILES for 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile is C=CCN1CCN(c2cccc(OC(F)F)c2N)CC1.CCCN1CCN(c2cccc(OC(F)F)c2C#N)CC1.CCN1CCN(c2cccc(OC(F)F)c2C#N)CC1.CCN1CCN(c2cccc(OC(F)F)c2N)CC1.COCCN1CCN(c2cccc(OC(F)F)c2N)CC1.
What is the InChIKey of 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile?
The InChIKey is NNYITADFMYLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O.C14H21F2N3O2.C14H17F2N3O.C14H19F2N3O.C13H19F2N3O/c1-2-6-19-7-9-20(10-8-19)13-4-3-5-14(12(13)11-18)21-15(16)17;1-20-10-9-18-5-7-19(8-6-18)11-3-2-4-12(13(11)17)21-14(15)16;1-2-18-6-8-19(9-7-18)12-4-3-5-13(11(12)10-17)20-14(15)16;1-2-6-18-7-9-19(10-8-18)11-4-3-5-12(13(11)17)20-14(15)16;1-2-17-6-8-18(9-7-17)10-4-3-5-11(12(10)16)19-13(14)15/h3-5,15H,2,6-10H2,1H3;2-4,14H,5-10,17H2,1H3;3-5,14H,2,6-9H2,1H3;2-5,14H,1,6-10,17H2;3-5,13H,2,6-9,16H2,1H3.
What are the key properties of 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile?
2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile has a molecular weight of 1432.61 g/mol, XLogP of 10.82, 24 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-ethylpiperazin-1-yl)benzonitrile;2-(difluoromethoxy)-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-(difluoromethoxy)-6-(4-prop-2-enylpiperazin-1-yl)aniline;2-(difluoromethoxy)-6-(4-propylpiperazin-1-yl)benzonitrile is sourced from PubChem (CID 173172801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).