1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide

C154H217BrCl3F6N35O11S — CID 161027555

IUPAC1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide
SMILESCC(=O)c1ccc(N2CCNCC2)nc1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Clc1ccnc(N2CCNCC2)c1Cl.FC(F)(F)c1cc(N2CCNCC2)ccc1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.O=[NH+]c1ccc(N2CCNCC2)cc1.[OH-].c1cc2c(cc1N1CCNCC1)OCO2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1
InChIInChI=1S/C12H18N2O2.2C12H18N2.C12H17NO.C11H15BrN2O.C11H12ClF3N2.C11H15N3O.C11H14N2O2.C11H16N2.C10H12F3N3.C10H13N3O.C9H11Cl2N3.C9H12N2.C8H12N4.C5H12N2O2S.H2O/c1-15-10-3-4-11(12(9-10)16-2)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;1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17;1-9(15)10-2-3-11(13-8-10)14-6-4-12-5-7-14;1-2-10-11(15-8-14-10)7-9(1)13-5-3-12-4-6-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;14-12-9-1-3-10(4-2-9)13-7-5-11-6-8-13;10-7-1-2-13-9(8(7)11)14-5-3-12-4-6-14;1-2-7-11(6-1)9-4-3-5-10-8-9;1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-10(8,9)7-4-2-6-3-5-7;/h3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;1-3,6-7H,4-5,8-11H2;2-3,8,13H,4-7H2,1H3;1-2,7,16H,3-6H2;2-3,8,12H,4-7H2,1H3;1-2,7,12H,3-6,8H2;2-5,12H,6-9H2,1H3;1-2,7,14H,3-6H2;1-4,11H,5-8H2;1-2,12H,3-6H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6H,2-5H2,1H3;1H2
InChIKeyJZRCINWOWYQQEI-UHFFFAOYSA-N
MW3066.98 g/mol
LogP17.38
Rot. Bonds23

About 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide

1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide (PubChem CID 161027555) has the molecular formula C154H217BrCl3F6N35O11S and a molecular weight of 3066.98 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide
PubChem CID161027555
Molecular FormulaC154H217BrCl3F6N35O11S
Molecular Weight3066.98 g/mol
Exact Mass3062.54
IUPAC Name1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide
SMILESCC(=O)c1ccc(N2CCNCC2)nc1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Clc1ccnc(N2CCNCC2)c1Cl.FC(F)(F)c1cc(N2CCNCC2)ccc1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.O=[NH+]c1ccc(N2CCNCC2)cc1.[OH-].c1cc2c(cc1N1CCNCC1)OCO2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1
InChIInChI=1S/C12H18N2O2.2C12H18N2.C12H17NO.C11H15BrN2O.C11H12ClF3N2.C11H15N3O.C11H14N2O2.C11H16N2.C10H12F3N3.C10H13N3O.C9H11Cl2N3.C9H12N2.C8H12N4.C5H12N2O2S.H2O/c1-15-10-3-4-11(12(9-10)16-2)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;1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17;1-9(15)10-2-3-11(13-8-10)14-6-4-12-5-7-14;1-2-10-11(15-8-14-10)7-9(1)13-5-3-12-4-6-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;14-12-9-1-3-10(4-2-9)13-7-5-11-6-8-13;10-7-1-2-13-9(8(7)11)14-5-3-12-4-6-14;1-2-7-11(6-1)9-4-3-5-10-8-9;1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-10(8,9)7-4-2-6-3-5-7;/h3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;1-3,6-7H,4-5,8-11H2;2-3,8,13H,4-7H2,1H3;1-2,7,16H,3-6H2;2-3,8,12H,4-7H2,1H3;1-2,7,12H,3-6,8H2;2-5,12H,6-9H2,1H3;1-2,7,14H,3-6H2;1-4,11H,5-8H2;1-2,12H,3-6H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6H,2-5H2,1H3;1H2
InChIKeyJZRCINWOWYQQEI-UHFFFAOYSA-N
XLogP17.38
TPSA449.96 Ų
H-Bond Donors14
H-Bond Acceptors44
Rotatable Bonds23
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003066.98
LogP ≤ 517.38
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichlorophenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepine;bis(1-(4-methylphenyl)piperazine);2-(4-methylpiperazin-1-yl)pyrimidine;1,3-oxazolidin-3-yl(phenyl)methanone;phenyl(pyrrolidin-1-yl)methanone;2-piperazin-1-ylpyrimidine;1-pyrrolidin-3-ylpyrrolidine;1-[3-(trifluoromethyl)phenyl]piperazine
CID 161367491
1-(1,3-benzodioxol-5-yl)piperazine;1-(4-chlorophenyl)-1,4-diazepane;1-(2,4-dichlorophenyl)piperazine;1-(2,4-difluorophenyl)-1,4-diazepane;1-(3,4-difluorophenyl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(4-fluoro-2-methoxyphenyl)piperazine;1-(2-fluoro-4-methylphenyl)piperazine;1-phenyl-1,4-diazepane;1-(2,3,5,6-tetrafluorophenyl)piperazine;1-(2,3,4-trifluorophenyl)piperazine;1-(2,4,5-trifluorophenyl)piperazine;1-(2,4,6-trifluorophenyl)piperazine
CID 159244269
1-butylpiperazine;1-(3-ethylphenyl)piperazine;1-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazine;methane;1-(2-methoxyphenyl)piperazine;1-(4-methylphenyl)piperazine;1-(4-nitrophenyl)piperazine;1-phenylpiperazine;4-piperazin-1-ylbenzonitrile;1-pyridin-2-ylpiperazine;1-pyridin-3-ylpiperazine;1-[4-(trifluoromethyl)phenyl]piperazine
CID 162096232
4-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-cyano-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropane-1-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;2,5-dimethoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
CID 159533841
1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine;1-(4-chlorophenyl)-4-methylpiperazine;tetrakis(1,4-dimethylpiperazine);1-ethyl-4-methylpiperazine;1-(4-fluorophenyl)-4-methylpiperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-naphthalen-2-ylpiperazine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde;1-(4-methylpiperazin-1-yl)ethanone;2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanol;4-(4-methylpiperazin-1-yl)phenol;2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-pyridin-2-ylpiperazine
CID 160935466
6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 160555001
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene
CID 159906531
1,3-benzodioxol-5-yl-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638157
1-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 2810008
1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 160768600
(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyridinyl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[(3-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]carbamate;(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]carbamate;[2-methyl-5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl] N-(7H-cyclopenta[d]pyrimidin-4-yl)-N-methylcarbamate
CID 161234363

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide (CID 161027555) is 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide is CC(=O)c1ccc(N2CCNCC2)nc1.COc1cc(N2CCNCC2)ccc1Br.COc1ccc(N2CCNCC2)c(OC)c1.CS(=O)(=O)N1CCNCC1.Cc1ccc(N2CCNCC2)c(C)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1C.Clc1ccnc(N2CCNCC2)c1Cl.FC(F)(F)c1cc(N2CCNCC2)ccc1Cl.FC(F)(F)c1ccc(N2CCNCC2)nc1.O=[NH+]c1ccc(N2CCNCC2)cc1.[OH-].c1cc2c(cc1N1CCNCC1)OCO2.c1ccc(OCCN2CCCC2)cc1.c1cnc(N2CCNCC2)nc1.c1cncc(N2CCCC2)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide?
The InChIKey is JZRCINWOWYQQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.2C12H18N2.C12H17NO.C11H15BrN2O.C11H12ClF3N2.C11H15N3O.C11H14N2O2.C11H16N2.C10H12F3N3.C10H13N3O.C9H11Cl2N3.C9H12N2.C8H12N4.C5H12N2O2S.H2O/c1-15-10-3-4-11(12(9-10)16-2)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;1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17;1-9(15)10-2-3-11(13-8-10)14-6-4-12-5-7-14;1-2-10-11(15-8-14-10)7-9(1)13-5-3-12-4-6-13;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;14-12-9-1-3-10(4-2-9)13-7-5-11-6-8-13;10-7-1-2-13-9(8(7)11)14-5-3-12-4-6-14;1-2-7-11(6-1)9-4-3-5-10-8-9;1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-10(8,9)7-4-2-6-3-5-7;/h3-4,9,13H,5-8H2,1-2H3;2*3-4,9,13H,5-8H2,1-2H3;1-3,6-7H,4-5,8-11H2;2-3,8,13H,4-7H2,1H3;1-2,7,16H,3-6H2;2-3,8,12H,4-7H2,1H3;1-2,7,12H,3-6,8H2;2-5,12H,6-9H2,1H3;1-2,7,14H,3-6H2;1-4,11H,5-8H2;1-2,12H,3-6H2;3-5,8H,1-2,6-7H2;1-3,9H,4-7H2;6H,2-5H2,1H3;1H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide?
1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide has a molecular weight of 3066.98 g/mol, XLogP of 17.38, 23 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)piperazine;1-(4-bromo-3-methoxyphenyl)piperazine;1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine;1-(3,4-dichloro-2-pyridinyl)piperazine;1-(2,4-dimethoxyphenyl)piperazine;1-(2,4-dimethylphenyl)piperazine;1-(3,4-dimethylphenyl)piperazine;1-(4-methylphenyl)piperazine;1-methylsulfonylpiperazine;oxo-(4-piperazin-1-ylphenyl)azanium;1-(2-phenoxyethyl)pyrrolidine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-piperazin-1-ylpyrimidine;3-pyrrolidin-1-ylpyridine;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;hydroxide is sourced from PubChem (CID 161027555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).