1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine

C18H20F3N3 — CID 4040392

IUPAC1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)(F)c1ccc(C(Cc2ccccn2)N2CCNCC2)cc1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-6-4-14(5-7-15)17(24-11-9-22-10-12-24)13-16-3-1-2-8-23-16/h1-8,17,22H,9-13H2
InChIKeyOPAXZEWSAURHAD-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.29
Rot. Bonds4

About 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine

1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 4040392) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID4040392
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)(F)c1ccc(C(Cc2ccccn2)N2CCNCC2)cc1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-6-4-14(5-7-15)17(24-11-9-22-10-12-24)13-16-3-1-2-8-23-16/h1-8,17,22H,9-13H2
InChIKeyOPAXZEWSAURHAD-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylethyl]piperazine
CID 5224367
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine
CID 3509612
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
CID 171172366
1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
CID 4642854
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]but-3-enyl]piperazine;hydrochloride
CID 171167114

Frequently Asked Questions

What is the IUPAC name of 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine (CID 4040392) is 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine is FC(F)(F)c1ccc(C(Cc2ccccn2)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is OPAXZEWSAURHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c19-18(20,21)15-6-4-14(5-7-15)17(24-11-9-22-10-12-24)13-16-3-1-2-8-23-16/h1-8,17,22H,9-13H2.
What are the key properties of 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 335.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 4040392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).