2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine

C17H18F3N3O — CID 120909944

IUPAC2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1cccc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)24-15-3-1-2-13(10-15)12-23-9-8-22-11-16(23)14-4-6-21-7-5-14/h1-7,10,16,22H,8-9,11-12H2
InChIKeyGNLWPEZZFXZCNC-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.13
Rot. Bonds4

About 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine

2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 120909944) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID120909944
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1cccc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)24-15-3-1-2-13(10-15)12-23-9-8-22-11-16(23)14-4-6-21-7-5-14/h1-7,10,16,22H,8-9,11-12H2
InChIKeyGNLWPEZZFXZCNC-UHFFFAOYSA-N
XLogP3.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910845
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910574
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
1-methyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyridin-2-one;2,2,2-trifluoroacetic acid
CID 166310166
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine (CID 120909944) is 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine is FC(F)(F)Oc1cccc(CN2CCNCC2c2ccncc2)c1.
What is the InChIKey of 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is GNLWPEZZFXZCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)24-15-3-1-2-13(10-15)12-23-9-8-22-11-16(23)14-4-6-21-7-5-14/h1-7,10,16,22H,8-9,11-12H2.
What are the key properties of 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine?
2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 337.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 120909944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).