2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline

C16H19F3N4 — CID 129409832

IUPAC2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline
SMILESCC(C)[C@@H]1CN(c2cnc3cccc(C(F)(F)F)c3n2)CCN1
InChIInChI=1S/C16H19F3N4/c1-10(2)13-9-23(7-6-20-13)14-8-21-12-5-3-4-11(15(12)22-14)16(17,18)19/h3-5,8,10,13,20H,6-7,9H2,1-2H3/t13-/m0/s1
InChIKeyZQAVRCXNXFDDHB-ZDUSSCGKSA-N
MW324.35 g/mol
LogP3.08
Rot. Bonds2

About 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline

2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline (PubChem CID 129409832) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline
PubChem CID129409832
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline
SMILESCC(C)[C@@H]1CN(c2cnc3cccc(C(F)(F)F)c3n2)CCN1
InChIInChI=1S/C16H19F3N4/c1-10(2)13-9-23(7-6-20-13)14-8-21-12-5-3-4-11(15(12)22-14)16(17,18)19/h3-5,8,10,13,20H,6-7,9H2,1-2H3/t13-/m0/s1
InChIKeyZQAVRCXNXFDDHB-ZDUSSCGKSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
CID 129409860
6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
CID 129409920
3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
CID 80505348
3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64925755
1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
CID 129391666
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine
CID 129391744
2-[(3R)-3-ethylpiperazin-1-yl]quinoxaline
CID 129409830
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
CID 64926019
2-[[(3S)-3-propan-2-ylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 175875243
[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 159182501

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline (CID 129409832) is 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline is CC(C)[C@@H]1CN(c2cnc3cccc(C(F)(F)F)c3n2)CCN1.
What is the InChIKey of 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline?
The InChIKey is ZQAVRCXNXFDDHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19F3N4/c1-10(2)13-9-23(7-6-20-13)14-8-21-12-5-3-4-11(15(12)22-14)16(17,18)19/h3-5,8,10,13,20H,6-7,9H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline?
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline has a molecular weight of 324.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 129409832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).