(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine

C17H17F3N2 — CID 171193949

IUPAC(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine
SMILESFC(F)(F)c1ccc(-c2ccc([C@H]3CNCCN3)cc2)cc1
InChIInChI=1S/C17H17F3N2/c18-17(19,20)15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-11-21-9-10-22-16/h1-8,16,21-22H,9-11H2/t16-/m1/s1
InChIKeyJGCHQXSTEDFBIS-MRXNPFEDSA-N
MW306.33 g/mol
LogP3.61
Rot. Bonds2

About (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine

(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine (PubChem CID 171193949) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine.

Molecular Properties

Compound Name(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine
PubChem CID171193949
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine
SMILESFC(F)(F)c1ccc(-c2ccc([C@H]3CNCCN3)cc2)cc1
InChIInChI=1S/C17H17F3N2/c18-17(19,20)15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-11-21-9-10-22-16/h1-8,16,21-22H,9-11H2/t16-/m1/s1
InChIKeyJGCHQXSTEDFBIS-MRXNPFEDSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
CID 91666755
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 171193656
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194540
2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
2-(4-ethylphenyl)piperazine
CID 45036830
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine?
The IUPAC name of (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine (CID 171193949) is (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine.
What is the SMILES notation for (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine?
The canonical SMILES for (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine is FC(F)(F)c1ccc(-c2ccc([C@H]3CNCCN3)cc2)cc1.
What is the InChIKey of (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine?
The InChIKey is JGCHQXSTEDFBIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17F3N2/c18-17(19,20)15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-11-21-9-10-22-16/h1-8,16,21-22H,9-11H2/t16-/m1/s1.
What are the key properties of (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine?
(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine has a molecular weight of 306.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine is sourced from PubChem (CID 171193949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).