1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine

C131H209ClN24O13S — CID 160589211

IUPAC1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine
SMILESC1CCNC1.C1CSCCN1.CC(=O)N1CCCNCC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)NC1CCCCC1.CCOC(=O)N1CCNCC1.COc1ccccc1CCN1CCNCC1.O=C(c1ccc2c(c1)OCCO2)N1CCNCC1.OC1(c2ccc(Cl)cc2)CCNCC1.OC1CCNCC1.c1cc(N2CCNCC2)ccn1.c1ccc(C(c2ccccc2)N2CCNCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C17H20N2.C13H16N2O3.C13H20N2O.C11H14ClNO.C11H16N2.C11H21NO2.C10H14N2.C9H13N3.C9H18N2O2.C7H14N2O2.C7H14N2O.C5H11NO.C4H9NS.C4H9N/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;16-13(15-5-3-14-4-6-15)10-1-2-11-12(9-10)18-8-7-17-11;1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15;12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3-10-4-2-9(1)12-7-5-11-6-8-12;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-11-7(10)9-5-3-8-4-6-9;1-7(10)9-5-2-3-8-4-6-9;7-5-1-3-6-4-2-5;1-3-6-4-2-5-1;1-2-4-5-3-1/h1-10,17-18H,11-14H2;1-2,9,14H,3-8H2;2-5,14H,6-11H2,1H3;1-4,13-14H,5-8H2;1-5,12H,6-10H2;9H,4-8H2,1-3H3,(H,12,13);1-5,11H,6-9H2;1-4,11H,5-8H2;10H,4-7H2,1-3H3;8H,2-6H2,1H3;8H,2-6H2,1H3;5-7H,1-4H2;5H,1-4H2;5H,1-4H2
InChIKeyRCUBLTYFVPBYBB-UHFFFAOYSA-N
MW2395.79 g/mol
LogP12.89
Rot. Bonds15

About 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine

1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine (PubChem CID 160589211) has the molecular formula C131H209ClN24O13S and a molecular weight of 2395.79 g/mol. Its IUPAC name is 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine.

Molecular Properties

Compound Name1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine
PubChem CID160589211
Molecular FormulaC131H209ClN24O13S
Molecular Weight2395.79 g/mol
Exact Mass2393.58
IUPAC Name1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine
SMILESC1CCNC1.C1CSCCN1.CC(=O)N1CCCNCC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)NC1CCCCC1.CCOC(=O)N1CCNCC1.COc1ccccc1CCN1CCNCC1.O=C(c1ccc2c(c1)OCCO2)N1CCNCC1.OC1(c2ccc(Cl)cc2)CCNCC1.OC1CCNCC1.c1cc(N2CCNCC2)ccn1.c1ccc(C(c2ccccc2)N2CCNCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C17H20N2.C13H16N2O3.C13H20N2O.C11H14ClNO.C11H16N2.C11H21NO2.C10H14N2.C9H13N3.C9H18N2O2.C7H14N2O2.C7H14N2O.C5H11NO.C4H9NS.C4H9N/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;16-13(15-5-3-14-4-6-15)10-1-2-11-12(9-10)18-8-7-17-11;1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15;12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3-10-4-2-9(1)12-7-5-11-6-8-12;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-11-7(10)9-5-3-8-4-6-9;1-7(10)9-5-2-3-8-4-6-9;7-5-1-3-6-4-2-5;1-3-6-4-2-5-1;1-2-4-5-3-1/h1-10,17-18H,11-14H2;1-2,9,14H,3-8H2;2-5,14H,6-11H2,1H3;1-4,13-14H,5-8H2;1-5,12H,6-10H2;9H,4-8H2,1-3H3,(H,12,13);1-5,11H,6-9H2;1-4,11H,5-8H2;10H,4-7H2,1-3H3;8H,2-6H2,1H3;8H,2-6H2,1H3;5-7H,1-4H2;5H,1-4H2;5H,1-4H2
InChIKeyRCUBLTYFVPBYBB-UHFFFAOYSA-N
XLogP12.89
TPSA391.66 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds15
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002395.79
LogP ≤ 512.89
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine with MolForge

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Launch Full Analysis

Related Compounds

4-[7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzamide;(2R,4S)-1-[4-[7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;(2R)-1-[4-[7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoyl]-N-methylpyrrolidine-2-carboxamide;4-[7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]-N-methyl-N-pyridin-4-ylbenzamide;7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,4-dihydroisoquinolin-3-one
CID 158577713
1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl N-cyclopentylcarbamate;tert-butyl piperazine-1-carboxylate;1-(1,4-diazepan-1-yl)ethanone;3,4-dihydro-2H-chromen-7-yl(piperazin-1-yl)methanone;ethyl piperidine-4-carboxylate;methane;1-[2-(2-methoxyphenyl)ethyl]piperazine;4-(4-methylphenyl)piperidin-4-ol;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine
CID 158652805

Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine?
The IUPAC name of 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine (CID 160589211) is 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine.
What is the SMILES notation for 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine?
The canonical SMILES for 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine is C1CCNC1.C1CSCCN1.CC(=O)N1CCCNCC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)NC1CCCCC1.CCOC(=O)N1CCNCC1.COc1ccccc1CCN1CCNCC1.O=C(c1ccc2c(c1)OCCO2)N1CCNCC1.OC1(c2ccc(Cl)cc2)CCNCC1.OC1CCNCC1.c1cc(N2CCNCC2)ccn1.c1ccc(C(c2ccccc2)N2CCNCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine?
The InChIKey is RCUBLTYFVPBYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2.C13H16N2O3.C13H20N2O.C11H14ClNO.C11H16N2.C11H21NO2.C10H14N2.C9H13N3.C9H18N2O2.C7H14N2O2.C7H14N2O.C5H11NO.C4H9NS.C4H9N/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;16-13(15-5-3-14-4-6-15)10-1-2-11-12(9-10)18-8-7-17-11;1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15;12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-3-10-4-2-9(1)12-7-5-11-6-8-12;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-11-7(10)9-5-3-8-4-6-9;1-7(10)9-5-2-3-8-4-6-9;7-5-1-3-6-4-2-5;1-3-6-4-2-5-1;1-2-4-5-3-1/h1-10,17-18H,11-14H2;1-2,9,14H,3-8H2;2-5,14H,6-11H2,1H3;1-4,13-14H,5-8H2;1-5,12H,6-10H2;9H,4-8H2,1-3H3,(H,12,13);1-5,11H,6-9H2;1-4,11H,5-8H2;10H,4-7H2,1-3H3;8H,2-6H2,1H3;8H,2-6H2,1H3;5-7H,1-4H2;5H,1-4H2;5H,1-4H2.
What are the key properties of 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine?
1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine has a molecular weight of 2395.79 g/mol, XLogP of 12.89, 15 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylpiperazine;1-benzylpiperazine;tert-butyl N-cyclohexylcarbamate;tert-butyl piperazine-1-carboxylate;4-(4-chlorophenyl)piperidin-4-ol;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(piperazin-1-yl)methanone;ethyl piperazine-1-carboxylate;1-[2-(2-methoxyphenyl)ethyl]piperazine;1-phenylpiperazine;piperidin-4-ol;1-pyridin-4-ylpiperazine;pyrrolidine;thiomorpholine is sourced from PubChem (CID 160589211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).