pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C17H16F3N3O — CID 2166152

IUPACpyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)14-2-1-3-15(12-14)22-8-10-23(11-9-22)16(24)13-4-6-21-7-5-13/h1-7,12H,8-11H2
InChIKeyDNRDXPQMPMBPLU-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.06
Rot. Bonds2

About pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 2166152) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID2166152
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Namepyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)14-2-1-3-15(12-14)22-8-10-23(11-9-22)16(24)13-4-6-21-7-5-13/h1-7,12H,8-11H2
InChIKeyDNRDXPQMPMBPLU-UHFFFAOYSA-N
XLogP3.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379
[4-[dimethylsulfamoyl(methyl)amino]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 92664254
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
(5-nitrothiophen-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 46489239
[4-[(2-chloro-4-pyridinyl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4120561
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33220761
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 2956194
[3-(2-methoxyethoxy)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 55997430

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 2166152) is pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1ccncc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is DNRDXPQMPMBPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)14-2-1-3-15(12-14)22-8-10-23(11-9-22)16(24)13-4-6-21-7-5-13/h1-7,12H,8-11H2.
What are the key properties of pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 335.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2166152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).