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

C21H22F6N2 — CID 1375720

IUPAC1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
SMILESC[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22F6N2/c1-15(12-16-4-2-5-17(13-16)20(22,23)24)28-8-10-29(11-9-28)19-7-3-6-18(14-19)21(25,26)27/h2-7,13-15H,8-12H2,1H3/t15-/m1/s1
InChIKeyKCQBXTRGJHSTQQ-OAHLLOKOSA-N
MW416.41 g/mol
LogP5.48
Rot. Bonds4

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

1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine (PubChem CID 1375720) has the molecular formula C21H22F6N2 and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
PubChem CID1375720
Molecular FormulaC21H22F6N2
Molecular Weight416.41 g/mol
Exact Mass416.17
IUPAC Name1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
SMILESC[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22F6N2/c1-15(12-16-4-2-5-17(13-16)20(22,23)24)28-8-10-29(11-9-28)19-7-3-6-18(14-19)21(25,26)27/h2-7,13-15H,8-12H2,1H3/t15-/m1/s1
InChIKeyKCQBXTRGJHSTQQ-OAHLLOKOSA-N
XLogP5.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 782196
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
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
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
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine (CID 1375720) is 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine is C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine?
The InChIKey is KCQBXTRGJHSTQQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22F6N2/c1-15(12-16-4-2-5-17(13-16)20(22,23)24)28-8-10-29(11-9-28)19-7-3-6-18(14-19)21(25,26)27/h2-7,13-15H,8-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine?
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine has a molecular weight of 416.41 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine is sourced from PubChem (CID 1375720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).