6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline

C16H17ClF3N3O — CID 170395031

IUPAC6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline
SMILESCc1nc2c(C(F)(F)F)c(Cl)ccc2nc1OCC1CCNCC1
InChIInChI=1S/C16H17ClF3N3O/c1-9-15(24-8-10-4-6-21-7-5-10)23-12-3-2-11(17)13(14(12)22-9)16(18,19)20/h2-3,10,21H,4-8H2,1H3
InChIKeyVBAPCZYKXAZQAM-UHFFFAOYSA-N
MW359.78 g/mol
LogP3.99
Rot. Bonds3

About 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline

6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline (PubChem CID 170395031) has the molecular formula C16H17ClF3N3O and a molecular weight of 359.78 g/mol. Its IUPAC name is 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline
PubChem CID170395031
Molecular FormulaC16H17ClF3N3O
Molecular Weight359.78 g/mol
Exact Mass359.10
IUPAC Name6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline
SMILESCc1nc2c(C(F)(F)F)c(Cl)ccc2nc1OCC1CCNCC1
InChIInChI=1S/C16H17ClF3N3O/c1-9-15(24-8-10-4-6-21-7-5-10)23-12-3-2-11(17)13(14(12)22-9)16(18,19)20/h2-3,10,21H,4-8H2,1H3
InChIKeyVBAPCZYKXAZQAM-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline
CID 170582101
2-chloro-3-(piperidin-4-ylmethoxy)quinoxaline
CID 71640763
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
2,3-dimethyl-6-(piperidin-4-ylmethoxy)quinoxaline
CID 82189775
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
3-(piperidin-4-ylmethoxy)quinoxalin-2-amine
CID 71644088
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
2-(methoxymethyl)-3-(piperidin-4-ylmethoxy)quinoxaline
CID 170395086
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
2-cyclopropyl-4,5-dimethyl-6-(piperidin-4-ylmethoxy)pyrimidine
CID 155976714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline?
The IUPAC name of 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline (CID 170395031) is 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline?
The canonical SMILES for 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline is Cc1nc2c(C(F)(F)F)c(Cl)ccc2nc1OCC1CCNCC1.
What is the InChIKey of 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline?
The InChIKey is VBAPCZYKXAZQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O/c1-9-15(24-8-10-4-6-21-7-5-10)23-12-3-2-11(17)13(14(12)22-9)16(18,19)20/h2-3,10,21H,4-8H2,1H3.
What are the key properties of 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline?
6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline has a molecular weight of 359.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 170395031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).