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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).