1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine

C9H13F3N4O — CID 70181361

IUPAC1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine
SMILESFC(F)(F)OC(c1cnc[nH]1)N1CCNCC1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)17-8(7-5-14-6-15-7)16-3-1-13-2-4-16/h5-6,8,13H,1-4H2,(H,14,15)
InChIKeyOHSYPQDQGINMOV-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.85
Rot. Bonds3

About 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine

1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine (PubChem CID 70181361) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine.

Molecular Properties

Compound Name1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine
PubChem CID70181361
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine
SMILESFC(F)(F)OC(c1cnc[nH]1)N1CCNCC1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)17-8(7-5-14-6-15-7)16-3-1-13-2-4-16/h5-6,8,13H,1-4H2,(H,14,15)
InChIKeyOHSYPQDQGINMOV-UHFFFAOYSA-N
XLogP0.85
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine?
The IUPAC name of 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine (CID 70181361) is 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine.
What is the SMILES notation for 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine?
The canonical SMILES for 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine is FC(F)(F)OC(c1cnc[nH]1)N1CCNCC1.
What is the InChIKey of 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine?
The InChIKey is OHSYPQDQGINMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c10-9(11,12)17-8(7-5-14-6-15-7)16-3-1-13-2-4-16/h5-6,8,13H,1-4H2,(H,14,15).
What are the key properties of 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine?
1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine has a molecular weight of 250.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-imidazol-5-yl(trifluoromethoxy)methyl]piperazine is sourced from PubChem (CID 70181361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).