5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine

C63H76BrF9N10O4 — CID 161078795

IUPAC5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine
SMILESCC(C)(C)OC(=O)CC1CC(C2CC2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1.CC(C)(C)OC(=O)CC1CNCC(C2CC2)C1.FC(F)(F)c1ccc(Br)c2nccnc12.NC1CC(C2CC2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1
InChIInChI=1S/C23H28F3N3O2.C17H19F3N4.C14H25NO2.C9H4BrF3N2/c1-22(2,3)31-19(30)11-14-10-16(15-4-5-15)13-29(12-14)18-7-6-17(23(24,25)26)20-21(18)28-9-8-27-20;18-17(19,20)13-3-4-14(16-15(13)22-5-6-23-16)24-8-11(10-1-2-10)7-12(21)9-24;1-14(2,3)17-13(16)7-10-6-12(9-15-8-10)11-4-5-11;10-6-2-1-5(9(11,12)13)7-8(6)15-4-3-14-7/h6-9,14-16H,4-5,10-13H2,1-3H3;3-6,10-12H,1-2,7-9,21H2;10-12,15H,4-9H2,1-3H3;1-4H
InChIKeyUFQBVHBZOOOFLX-UHFFFAOYSA-N
MW1288.25 g/mol
LogP14.21
Rot. Bonds9

About 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine

5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine (PubChem CID 161078795) has the molecular formula C63H76BrF9N10O4 and a molecular weight of 1288.25 g/mol. Its IUPAC name is 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine.

Molecular Properties

Compound Name5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine
PubChem CID161078795
Molecular FormulaC63H76BrF9N10O4
Molecular Weight1288.25 g/mol
Exact Mass1286.51
IUPAC Name5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine
SMILESCC(C)(C)OC(=O)CC1CC(C2CC2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1.CC(C)(C)OC(=O)CC1CNCC(C2CC2)C1.FC(F)(F)c1ccc(Br)c2nccnc12.NC1CC(C2CC2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1
InChIInChI=1S/C23H28F3N3O2.C17H19F3N4.C14H25NO2.C9H4BrF3N2/c1-22(2,3)31-19(30)11-14-10-16(15-4-5-15)13-29(12-14)18-7-6-17(23(24,25)26)20-21(18)28-9-8-27-20;18-17(19,20)13-3-4-14(16-15(13)22-5-6-23-16)24-8-11(10-1-2-10)7-12(21)9-24;1-14(2,3)17-13(16)7-10-6-12(9-15-8-10)11-4-5-11;10-6-2-1-5(9(11,12)13)7-8(6)15-4-3-14-7/h6-9,14-16H,4-5,10-13H2,1-3H3;3-6,10-12H,1-2,7-9,21H2;10-12,15H,4-9H2,1-3H3;1-4H
InChIKeyUFQBVHBZOOOFLX-UHFFFAOYSA-N
XLogP14.21
TPSA174.47 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.25
LogP ≤ 514.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine with MolForge

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Related Compounds

Tris(8-(3-amino-5-methylpiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl 2-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[5-(trifluoromethyl)piperidin-3-yl]acetate;methane
CID 157717971
Tris(8-(3-amino-5-methylpiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl 2-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[5-(trifluoromethyl)piperidin-3-yl]acetate;methane
CID 158032311
bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate
CID 158539553
Tris(8-(3-amino-5-methylpiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl 2-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[5-(trifluoromethyl)piperidin-3-yl]acetate
CID 159759081
sodium;5-bromo-8-(trifluoromethyl)quinoxaline;4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one;N'-ethyl-N'-methylethane-1,2-diamine;ethyl 1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylate;[(2-oxohydrazinyl)hydrazinylidene]azanide;1-piperidin-4-ylethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid
CID 161645884
bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate;methane
CID 162215174
Tert-butyl 2-[5-cyclopropyl-1-[8-(difluoromethyl)quinolin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(difluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 157380288
Tert-butyl 2-[5-cyclopropyl-1-[8-(difluoromethyl)quinolin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(difluoromethyl)quinolin-5-yl]piperidin-3-amine;methane
CID 157932426
8-[(3R,5S)-3-amino-5-fluoropiperidin-1-yl]quinoxaline-5-carbonitrile;5-bromoquinoline-8-carbonitrile;tert-butyl 2-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-fluoropiperidin-3-yl]acetate;tert-butyl 2-[(3R,5S)-5-fluoropiperidin-3-yl]acetate;hydrochloride
CID 158073495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine?
The IUPAC name of 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine (CID 161078795) is 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine.
What is the SMILES notation for 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine?
The canonical SMILES for 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine is CC(C)(C)OC(=O)CC1CC(C2CC2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1.CC(C)(C)OC(=O)CC1CNCC(C2CC2)C1.FC(F)(F)c1ccc(Br)c2nccnc12.NC1CC(C2CC2)CN(c2ccc(C(F)(F)F)c3nccnc23)C1.
What is the InChIKey of 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine?
The InChIKey is UFQBVHBZOOOFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O2.C17H19F3N4.C14H25NO2.C9H4BrF3N2/c1-22(2,3)31-19(30)11-14-10-16(15-4-5-15)13-29(12-14)18-7-6-17(23(24,25)26)20-21(18)28-9-8-27-20;18-17(19,20)13-3-4-14(16-15(13)22-5-6-23-16)24-8-11(10-1-2-10)7-12(21)9-24;1-14(2,3)17-13(16)7-10-6-12(9-15-8-10)11-4-5-11;10-6-2-1-5(9(11,12)13)7-8(6)15-4-3-14-7/h6-9,14-16H,4-5,10-13H2,1-3H3;3-6,10-12H,1-2,7-9,21H2;10-12,15H,4-9H2,1-3H3;1-4H.
What are the key properties of 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine?
5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine has a molecular weight of 1288.25 g/mol, XLogP of 14.21, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(trifluoromethyl)quinoxaline;tert-butyl 2-(5-cyclopropylpiperidin-3-yl)acetate;tert-butyl 2-[5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetate;5-cyclopropyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-amine is sourced from PubChem (CID 161078795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).