1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine

C17H16F5N3O — CID 11743581

IUPAC1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1cccc(COc2nc(N3CCNCC3)ccc2C(F)(F)F)c1F
InChIInChI=1S/C17H16F5N3O/c18-13-3-1-2-11(15(13)19)10-26-16-12(17(20,21)22)4-5-14(24-16)25-8-6-23-7-9-25/h1-5,23H,6-10H2
InChIKeyYYSRVJMCMWYNLJ-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.37
Rot. Bonds4

About 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 11743581) has the molecular formula C17H16F5N3O and a molecular weight of 373.33 g/mol. Its IUPAC name is 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID11743581
Molecular FormulaC17H16F5N3O
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC Name1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1cccc(COc2nc(N3CCNCC3)ccc2C(F)(F)F)c1F
InChIInChI=1S/C17H16F5N3O/c18-13-3-1-2-11(15(13)19)10-26-16-12(17(20,21)22)4-5-14(24-16)25-8-6-23-7-9-25/h1-5,23H,6-10H2
InChIKeyYYSRVJMCMWYNLJ-UHFFFAOYSA-N
XLogP3.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 10094031
4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
CID 141073558
1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine
CID 45483506
(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 10454284
1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 11725490
1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
CID 162549104
2-(naphthalen-1-ylmethoxy)-6-piperazin-1-ylpyrazine
CID 10267995
4-[[6-(1,4-diazepan-1-yl)-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 164544839
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
CID 66842407
1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride
CID 70607093
1-[(1S)-2-fluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171181975
1-[(1S)-3-fluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171165540

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 11743581) is 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine is Fc1cccc(COc2nc(N3CCNCC3)ccc2C(F)(F)F)c1F.
What is the InChIKey of 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is YYSRVJMCMWYNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5N3O/c18-13-3-1-2-11(15(13)19)10-26-16-12(17(20,21)22)4-5-14(24-16)25-8-6-23-7-9-25/h1-5,23H,6-10H2.
What are the key properties of 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 373.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 11743581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).