piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol

C10H13F3N4O — CID 123145009

IUPACpiperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol
SMILESOC(c1cncc(C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)8-6-15-5-7(16-8)9(18)17-3-1-14-2-4-17/h5-6,9,14,18H,1-4H2
InChIKeyIEDWTUZHSMXRNS-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.39
Rot. Bonds2

About piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol

piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol (PubChem CID 123145009) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Namepiperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol
PubChem CID123145009
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Namepiperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol
SMILESOC(c1cncc(C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)8-6-15-5-7(16-8)9(18)17-3-1-14-2-4-17/h5-6,9,14,18H,1-4H2
InChIKeyIEDWTUZHSMXRNS-UHFFFAOYSA-N
XLogP0.39
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol?
The IUPAC name of piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol (CID 123145009) is piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol.
What is the SMILES notation for piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol?
The canonical SMILES for piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol is OC(c1cncc(C(F)(F)F)n1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol?
The InChIKey is IEDWTUZHSMXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)8-6-15-5-7(16-8)9(18)17-3-1-14-2-4-17/h5-6,9,14,18H,1-4H2.
What are the key properties of piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol?
piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol has a molecular weight of 262.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[6-(trifluoromethyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 123145009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).