1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine

C17H17ClF3N3 — CID 120846483

IUPAC1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESFC(F)(F)c1cc(Cl)cc(CN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C17H17ClF3N3/c18-15-7-12(6-14(8-15)17(19,20)21)11-24-5-4-23-10-16(24)13-2-1-3-22-9-13/h1-3,6-9,16,23H,4-5,10-11H2
InChIKeyVGZBLERUTLQYLX-UHFFFAOYSA-N
MW355.79 g/mol
LogP3.90
Rot. Bonds3

About 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine

1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120846483) has the molecular formula C17H17ClF3N3 and a molecular weight of 355.79 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
PubChem CID120846483
Molecular FormulaC17H17ClF3N3
Molecular Weight355.79 g/mol
Exact Mass355.11
IUPAC Name1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESFC(F)(F)c1cc(Cl)cc(CN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C17H17ClF3N3/c18-15-7-12(6-14(8-15)17(19,20)21)11-24-5-4-23-10-16(24)13-2-1-3-22-9-13/h1-3,6-9,16,23H,4-5,10-11H2
InChIKeyVGZBLERUTLQYLX-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768312
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
(2S)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 120839203
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
CID 120839392
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768167
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine (CID 120846483) is 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine is FC(F)(F)c1cc(Cl)cc(CN2CCNCC2c2cccnc2)c1.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is VGZBLERUTLQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3/c18-15-7-12(6-14(8-15)17(19,20)21)11-24-5-4-23-10-16(24)13-2-1-3-22-9-13/h1-3,6-9,16,23H,4-5,10-11H2.
What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine?
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 355.79 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120846483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).