1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine

C107H153F7N18O13 — CID 162139845

IUPAC1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
SMILESCCCOc1cc(F)ccc1N1CCNCC1.COCCOc1cc(F)c(N2CCNCC2)c(F)c1.COCCOc1cc(N2CCNCC2)ccc1F.COCCOc1ccc(N2CCNCC2)c(C#N)c1.COCCOc1ccc(N2CCNCC2)c(C)c1.COCCOc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.[C-]#[N+]c1cc(N2CCNCC2)ccc1OCCOC
InChIInChI=1S/2C14H19N3O2.2C14H22N2O2.C13H18F2N2O2.C13H19FN2O2.C13H19FN2O.C12H15F3N2/c1-15-13-11-12(17-7-5-16-6-8-17)3-4-14(13)19-10-9-18-2;1-18-8-9-19-13-2-3-14(12(10-13)11-15)17-6-4-16-5-7-17;1-12-11-13(18-10-9-17-2)3-4-14(12)16-7-5-15-6-8-16;1-12-11-13(16-7-5-15-6-8-16)3-4-14(12)18-10-9-17-2;1-18-6-7-19-10-8-11(14)13(12(15)9-10)17-4-2-16-3-5-17;1-17-8-9-18-13-10-11(2-3-12(13)14)16-6-4-15-5-7-16;1-2-9-17-13-10-11(14)3-4-12(13)16-7-5-15-6-8-16;1-9-2-3-11(10(8-9)12(13,14)15)17-6-4-16-5-7-17/h3-4,11,16H,5-10H2,2H3;2-3,10,16H,4-9H2,1H3;2*3-4,11,15H,5-10H2,1-2H3;8-9,16H,2-7H2,1H3;2-3,10,15H,4-9H2,1H3;3-4,10,15H,2,5-9H2,1H3;2-3,8,16H,4-7H2,1H3
InChIKeyZJTZEUQQUYHNHH-UHFFFAOYSA-N
MW2032.50 g/mol
LogP12.63
Rot. Bonds35

About 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine

1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine (PubChem CID 162139845) has the molecular formula C107H153F7N18O13 and a molecular weight of 2032.50 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
PubChem CID162139845
Molecular FormulaC107H153F7N18O13
Molecular Weight2032.50 g/mol
Exact Mass2031.18
IUPAC Name1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
SMILESCCCOc1cc(F)ccc1N1CCNCC1.COCCOc1cc(F)c(N2CCNCC2)c(F)c1.COCCOc1cc(N2CCNCC2)ccc1F.COCCOc1ccc(N2CCNCC2)c(C#N)c1.COCCOc1ccc(N2CCNCC2)c(C)c1.COCCOc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.[C-]#[N+]c1cc(N2CCNCC2)ccc1OCCOC
InChIInChI=1S/2C14H19N3O2.2C14H22N2O2.C13H18F2N2O2.C13H19FN2O2.C13H19FN2O.C12H15F3N2/c1-15-13-11-12(17-7-5-16-6-8-17)3-4-14(13)19-10-9-18-2;1-18-8-9-19-13-2-3-14(12(10-13)11-15)17-6-4-16-5-7-17;1-12-11-13(18-10-9-17-2)3-4-14(12)16-7-5-15-6-8-16;1-12-11-13(16-7-5-15-6-8-16)3-4-14(12)18-10-9-17-2;1-18-6-7-19-10-8-11(14)13(12(15)9-10)17-4-2-16-3-5-17;1-17-8-9-18-13-10-11(2-3-12(13)14)16-6-4-15-5-7-16;1-2-9-17-13-10-11(14)3-4-12(13)16-7-5-15-6-8-16;1-9-2-3-11(10(8-9)12(13,14)15)17-6-4-16-5-7-17/h3-4,11,16H,5-10H2,2H3;2-3,10,16H,4-9H2,1H3;2*3-4,11,15H,5-10H2,1-2H3;8-9,16H,2-7H2,1H3;2-3,10,15H,4-9H2,1H3;3-4,10,15H,2,5-9H2,1H3;2-3,8,16H,4-7H2,1H3
InChIKeyZJTZEUQQUYHNHH-UHFFFAOYSA-N
XLogP12.63
TPSA270.30 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002032.50
LogP ≤ 512.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[3,4-bis(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine;1-(2-fluoro-4-methoxyphenyl)piperazine;1-(3-fluoro-4-methoxyphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-[4-methoxy-2-(trifluoromethyl)phenyl]piperazine;4-(4-piperazin-1-ylphenyl)morpholine;1-[4-(trifluoromethoxy)phenyl]piperazine
CID 158326641
1-(2,4-Difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine
CID 159656143
1-[3,4-Bis(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-2-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(2-fluoro-4-methoxyphenyl)piperazine;1-(3-fluoro-4-methoxyphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]piperazine;1-[4-methoxy-2-(trifluoromethyl)phenyl]piperazine;1-[4-(trifluoromethoxy)phenyl]piperazine
CID 160932830
1-(2-fluoro-4-methylphenyl)piperazine;1-(3-fluoro-4-methylphenyl)piperazine;1-(4-fluoro-2-methylphenyl)piperazine;1-[4-(2-methoxyethoxy)-3-propoxyphenyl]piperazine;N'-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine;1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylphenyl)piperazine;4-(4-piperazin-1-ylphenyl)morpholine
CID 161244589
5-(3-Fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile
CID 157383592
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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine (CID 162139845) is 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine is CCCOc1cc(F)ccc1N1CCNCC1.COCCOc1cc(F)c(N2CCNCC2)c(F)c1.COCCOc1cc(N2CCNCC2)ccc1F.COCCOc1ccc(N2CCNCC2)c(C#N)c1.COCCOc1ccc(N2CCNCC2)c(C)c1.COCCOc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.[C-]#[N+]c1cc(N2CCNCC2)ccc1OCCOC.
What is the InChIKey of 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ZJTZEUQQUYHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H19N3O2.2C14H22N2O2.C13H18F2N2O2.C13H19FN2O2.C13H19FN2O.C12H15F3N2/c1-15-13-11-12(17-7-5-16-6-8-17)3-4-14(13)19-10-9-18-2;1-18-8-9-19-13-2-3-14(12(10-13)11-15)17-6-4-16-5-7-17;1-12-11-13(18-10-9-17-2)3-4-14(12)16-7-5-15-6-8-16;1-12-11-13(16-7-5-15-6-8-16)3-4-14(12)18-10-9-17-2;1-18-6-7-19-10-8-11(14)13(12(15)9-10)17-4-2-16-3-5-17;1-17-8-9-18-13-10-11(2-3-12(13)14)16-6-4-15-5-7-16;1-2-9-17-13-10-11(14)3-4-12(13)16-7-5-15-6-8-16;1-9-2-3-11(10(8-9)12(13,14)15)17-6-4-16-5-7-17/h3-4,11,16H,5-10H2,2H3;2-3,10,16H,4-9H2,1H3;2*3-4,11,15H,5-10H2,1-2H3;8-9,16H,2-7H2,1H3;2-3,10,15H,4-9H2,1H3;3-4,10,15H,2,5-9H2,1H3;2-3,8,16H,4-7H2,1H3.
What are the key properties of 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine?
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 2032.50 g/mol, XLogP of 12.63, 35 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-fluoro-3-(2-methoxyethoxy)phenyl]piperazine;1-(4-fluoro-2-propoxyphenyl)piperazine;1-[3-isocyano-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-2-methylphenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;5-(2-methoxyethoxy)-2-piperazin-1-ylbenzonitrile;1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 162139845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).