tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine

C65H83BCl6N16O8 — CID 160557425

IUPACtert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine
SMILESCC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(Cl)cc3)n2)CC1.CC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCNCC1.Clc1ccc(-c2cncc(N3CCNCC3)n2)cc1.Clc1cncc(Cl)n1.OB(O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O2.C14H15ClN4.C13H19ClN4O2.C9H18N2O2.C6H6BClO2.C4H2Cl2N2/c1-19(2,3)26-18(25)24-10-8-23(9-11-24)17-13-21-12-16(22-17)14-4-6-15(20)7-5-14;15-12-3-1-11(2-4-12)13-9-17-10-14(18-13)19-7-5-16-6-8-19;1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;8-6-3-1-5(2-4-6)7(9)10;5-3-1-7-2-4(6)8-3/h4-7,12-13H,8-11H2,1-3H3;1-4,9-10,16H,5-8H2;8-9H,4-7H2,1-3H3;10H,4-7H2,1-3H3;1-4,9-10H;1-2H
InChIKeyQYWDXYTWGARRJZ-UHFFFAOYSA-N
MW1440.01 g/mol
LogP10.88
Rot. Bonds6

About tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine

tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine (PubChem CID 160557425) has the molecular formula C65H83BCl6N16O8 and a molecular weight of 1440.01 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine.

Molecular Properties

Compound Nametert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine
PubChem CID160557425
Molecular FormulaC65H83BCl6N16O8
Molecular Weight1440.01 g/mol
Exact Mass1436.48
IUPAC Nametert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine
SMILESCC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(Cl)cc3)n2)CC1.CC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCNCC1.Clc1ccc(-c2cncc(N3CCNCC3)n2)cc1.Clc1cncc(Cl)n1.OB(O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O2.C14H15ClN4.C13H19ClN4O2.C9H18N2O2.C6H6BClO2.C4H2Cl2N2/c1-19(2,3)26-18(25)24-10-8-23(9-11-24)17-13-21-12-16(22-17)14-4-6-15(20)7-5-14;15-12-3-1-11(2-4-12)13-9-17-10-14(18-13)19-7-5-16-6-8-19;1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;8-6-3-1-5(2-4-6)7(9)10;5-3-1-7-2-4(6)8-3/h4-7,12-13H,8-11H2,1-3H3;1-4,9-10,16H,5-8H2;8-9H,4-7H2,1-3H3;10H,4-7H2,1-3H3;1-4,9-10H;1-2H
InChIKeyQYWDXYTWGARRJZ-UHFFFAOYSA-N
XLogP10.88
TPSA265.98 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001440.01
LogP ≤ 510.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine?
The IUPAC name of tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine (CID 160557425) is tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine.
What is the SMILES notation for tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine?
The canonical SMILES for tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine is CC(C)(C)OC(=O)N1CCN(c2cncc(-c3ccc(Cl)cc3)n2)CC1.CC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCNCC1.Clc1ccc(-c2cncc(N3CCNCC3)n2)cc1.Clc1cncc(Cl)n1.OB(O)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine?
The InChIKey is QYWDXYTWGARRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2.C14H15ClN4.C13H19ClN4O2.C9H18N2O2.C6H6BClO2.C4H2Cl2N2/c1-19(2,3)26-18(25)24-10-8-23(9-11-24)17-13-21-12-16(22-17)14-4-6-15(20)7-5-14;15-12-3-1-11(2-4-12)13-9-17-10-14(18-13)19-7-5-16-6-8-19;1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;8-6-3-1-5(2-4-6)7(9)10;5-3-1-7-2-4(6)8-3/h4-7,12-13H,8-11H2,1-3H3;1-4,9-10,16H,5-8H2;8-9H,4-7H2,1-3H3;10H,4-7H2,1-3H3;1-4,9-10H;1-2H.
What are the key properties of tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine?
tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine has a molecular weight of 1440.01 g/mol, XLogP of 10.88, 6 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(4-chlorophenyl)pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-6-piperazin-1-ylpyrazine;2,6-dichloropyrazine is sourced from PubChem (CID 160557425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).