1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine

C20H23F3N2 — CID 782196

IUPAC1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
SMILESC[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23F3N2/c1-16(14-17-6-5-7-18(15-17)20(21,22)23)24-10-12-25(13-11-24)19-8-3-2-4-9-19/h2-9,15-16H,10-14H2,1H3/t16-/m0/s1
InChIKeyOQXFBZAEGKEXTG-INIZCTEOSA-N
MW348.41 g/mol
LogP4.46
Rot. Bonds4

About 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine

1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine (PubChem CID 782196) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
PubChem CID782196
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
SMILESC[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23F3N2/c1-16(14-17-6-5-7-18(15-17)20(21,22)23)24-10-12-25(13-11-24)19-8-3-2-4-9-19/h2-9,15-16H,10-14H2,1H3/t16-/m0/s1
InChIKeyOQXFBZAEGKEXTG-INIZCTEOSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572
2-[4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-yl]pyrimidine
CID 30980798
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile
CID 60811985
4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol
CID 30983391
5-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 95146921
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine?
The IUPAC name of 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine (CID 782196) is 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine?
The canonical SMILES for 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine is C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine?
The InChIKey is OQXFBZAEGKEXTG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23F3N2/c1-16(14-17-6-5-7-18(15-17)20(21,22)23)24-10-12-25(13-11-24)19-8-3-2-4-9-19/h2-9,15-16H,10-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine?
1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine has a molecular weight of 348.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine is sourced from PubChem (CID 782196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).