6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline

C19H19F3N6 — CID 118911133

IUPAC6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline
SMILESC[C@H](c1ccc2nccnc2c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N6/c1-13(14-2-3-16-17(10-14)24-5-4-23-16)27-6-8-28(9-7-27)18-25-11-15(12-26-18)19(20,21)22/h2-5,10-13H,6-9H2,1H3/t13-/m1/s1
InChIKeyJQJHLPSGRSSZQC-CYBMUJFWSA-N
MW388.40 g/mol
LogP3.32
Rot. Bonds3

About 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline

6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline (PubChem CID 118911133) has the molecular formula C19H19F3N6 and a molecular weight of 388.40 g/mol. Its IUPAC name is 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline.

Molecular Properties

Compound Name6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline
PubChem CID118911133
Molecular FormulaC19H19F3N6
Molecular Weight388.40 g/mol
Exact Mass388.16
IUPAC Name6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline
SMILESC[C@H](c1ccc2nccnc2c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N6/c1-13(14-2-3-16-17(10-14)24-5-4-23-16)27-6-8-28(9-7-27)18-25-11-15(12-26-18)19(20,21)22/h2-5,10-13H,6-9H2,1H3/t13-/m1/s1
InChIKeyJQJHLPSGRSSZQC-CYBMUJFWSA-N
XLogP3.32
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline?
The IUPAC name of 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline (CID 118911133) is 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline.
What is the SMILES notation for 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline?
The canonical SMILES for 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline is C[C@H](c1ccc2nccnc2c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline?
The InChIKey is JQJHLPSGRSSZQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N6/c1-13(14-2-3-16-17(10-14)24-5-4-23-16)27-6-8-28(9-7-27)18-25-11-15(12-26-18)19(20,21)22/h2-5,10-13H,6-9H2,1H3/t13-/m1/s1.
What are the key properties of 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline?
6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline has a molecular weight of 388.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]quinoxaline is sourced from PubChem (CID 118911133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).