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

C21H25F3N2 — CID 2846572

IUPAC1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H25F3N2/c1-17(10-11-18-6-3-2-4-7-18)25-12-14-26(15-13-25)20-9-5-8-19(16-20)21(22,23)24/h2-9,16-17H,10-15H2,1H3
InChIKeyDTIZNRFBKSXDAV-UHFFFAOYSA-N
MW362.44 g/mol
LogP4.85
Rot. Bonds5

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

1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 2846572) has the molecular formula C21H25F3N2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID2846572
Molecular FormulaC21H25F3N2
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H25F3N2/c1-17(10-11-18-6-3-2-4-7-18)25-12-14-26(15-13-25)20-9-5-8-19(16-20)21(22,23)24/h2-9,16-17H,10-15H2,1H3
InChIKeyDTIZNRFBKSXDAV-UHFFFAOYSA-N
XLogP4.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol
CID 30983391
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 782196
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile
CID 60811985
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
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-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
(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-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 2846572) is 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is CC(CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is DTIZNRFBKSXDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2/c1-17(10-11-18-6-3-2-4-7-18)25-12-14-26(15-13-25)20-9-5-8-19(16-20)21(22,23)24/h2-9,16-17H,10-15H2,1H3.
What are the key properties of 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 362.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 2846572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).