1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine

C102H146ClF3N20O4 — CID 161410108

IUPAC1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine
SMILESCOc1cc(N2CCNCC2)ccc1C.COc1ccc(N2CCNCC2)c(OC)c1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1ccc(N2CCNCC2)cc1Cl.c1cc2c(cc1N1CCNCC1)OCC2.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C12H15F3N2.C12H18N2O2.C12H16N2O.C12H18N2O.2C12H18N2.C11H15ClN2.C11H16N2.C8H12N4/c1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-2-11(14-6-4-13-5-7-14)9-12-10(1)3-8-15-12;1-10-3-4-11(9-12(10)15-2)14-7-5-13-6-8-14;1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14;1-9-2-3-10(8-11(9)12)14-6-4-13-5-7-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-2-10-8(11-3-1)12-6-4-9-5-7-12/h2-3,8,16H,4-7H2,1H3;3-4,9,13H,5-8H2,1-2H3;1-2,9,13H,3-8H2;3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3;1-3,9H,4-7H2
InChIKeyVVIUOZJHBQBPEI-UHFFFAOYSA-N
MW1808.87 g/mol
LogP12.76
Rot. Bonds12

About 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine

1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine (PubChem CID 161410108) has the molecular formula C102H146ClF3N20O4 and a molecular weight of 1808.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine
PubChem CID161410108
Molecular FormulaC102H146ClF3N20O4
Molecular Weight1808.87 g/mol
Exact Mass1807.15
IUPAC Name1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine
SMILESCOc1cc(N2CCNCC2)ccc1C.COc1ccc(N2CCNCC2)c(OC)c1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1ccc(N2CCNCC2)cc1Cl.c1cc2c(cc1N1CCNCC1)OCC2.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C12H15F3N2.C12H18N2O2.C12H16N2O.C12H18N2O.2C12H18N2.C11H15ClN2.C11H16N2.C8H12N4/c1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-2-11(14-6-4-13-5-7-14)9-12-10(1)3-8-15-12;1-10-3-4-11(9-12(10)15-2)14-7-5-13-6-8-14;1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14;1-9-2-3-10(8-11(9)12)14-6-4-13-5-7-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-2-10-8(11-3-1)12-6-4-9-5-7-12/h2-3,8,16H,4-7H2,1H3;3-4,9,13H,5-8H2,1-2H3;1-2,9,13H,3-8H2;3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3;1-3,9H,4-7H2
InChIKeyVVIUOZJHBQBPEI-UHFFFAOYSA-N
XLogP12.76
TPSA200.13 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001808.87
LogP ≤ 512.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine with MolForge

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Related Compounds

1-(2-Chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;methane;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(4-piperazin-1-ylphenyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine
CID 157919797
1-(4-Chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine
CID 158850671
1-(1,3-Benzodioxol-5-yl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine
CID 158997435
1-(4-Bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1-(2-phenoxyethyl)pyrrolidine;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine
CID 160261950
1-(4-Chloro-3-methylphenyl)piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;1,3-oxazolidin-3-yl(phenyl)methanone;bis(2-piperazin-1-ylpyrimidine)
CID 160640746
1-(4-Bromo-3-methoxyphenyl)piperazine;1-(4-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-[3-(1,1-difluoroethyl)phenyl]piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;1-(4-methylphenyl)piperazine;2-(4-methylpiperazin-1-yl)pyrimidine;2-piperazin-1-ylpyrimidine
CID 160745407
1-(4-Bromo-3-methoxyphenyl)piperazine;1-(2-chloro-3-methylphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;methane;1-(4-methylphenyl)piperazine;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[3-(trifluoromethyl)phenyl]piperazine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 161452554
5-chloro-4-[3-(2-chloro-6-fluorophenyl)propyl]-N-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;5-chloro-4-[3-(2-chloro-6-fluorophenyl)propyl]-N-[2-ethoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;5-chloro-4-[3-(2-chloro-6-fluorophenyl)propyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;5-chloro-4-[3-(2-methoxyphenyl)propyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 161529815

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine (CID 161410108) is 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine is COc1cc(N2CCNCC2)ccc1C.COc1ccc(N2CCNCC2)c(OC)c1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Cc1ccc(N2CCNCC2)cc1C(F)(F)F.Cc1ccc(N2CCNCC2)cc1Cl.c1cc2c(cc1N1CCNCC1)OCC2.c1cnc(N2CCNCC2)nc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine?
The InChIKey is VVIUOZJHBQBPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C12H18N2O2.C12H16N2O.C12H18N2O.2C12H18N2.C11H15ClN2.C11H16N2.C8H12N4/c1-9-2-3-10(8-11(9)12(13,14)15)17-6-4-16-5-7-17;1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14;1-2-11(14-6-4-13-5-7-14)9-12-10(1)3-8-15-12;1-10-3-4-11(9-12(10)15-2)14-7-5-13-6-8-14;1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14;1-9-2-3-10(8-11(9)12)14-6-4-13-5-7-14;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;1-2-10-8(11-3-1)12-6-4-9-5-7-12/h2-3,8,16H,4-7H2,1H3;3-4,9,13H,5-8H2,1-2H3;1-2,9,13H,3-8H2;3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;2-3,8,13H,4-7H2,1H3;2-5,12H,6-9H2,1H3;1-3,9H,4-7H2.
What are the key properties of 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine?
1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine has a molecular weight of 1808.87 g/mol, XLogP of 12.76, 12 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)piperazine;1-(2,3-dihydro-1-benzofuran-6-yl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(3-methoxy-4-methylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-[4-methyl-3-(trifluoromethyl)phenyl]piperazine;2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 161410108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).