1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine

C17H25F3N2 — CID 171310211

IUPAC1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C17H25F3N2/c1-13(2)7-8-16(22-11-9-21-10-12-22)14-5-3-4-6-15(14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3/t16-/m0/s1
InChIKeySSSPYLYQVGKVBO-INIZCTEOSA-N
MW314.39 g/mol
LogP4.09
Rot. Bonds5

About 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine

1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine (PubChem CID 171310211) has the molecular formula C17H25F3N2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
PubChem CID171310211
Molecular FormulaC17H25F3N2
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C17H25F3N2/c1-13(2)7-8-16(22-11-9-21-10-12-22)14-5-3-4-6-15(14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3/t16-/m0/s1
InChIKeySSSPYLYQVGKVBO-INIZCTEOSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]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

1-[(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171170492
1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309199
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171310345
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311061
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
(4R)-4-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171173694
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1S)-4-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171310278

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine?
The IUPAC name of 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine (CID 171310211) is 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine?
The canonical SMILES for 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine is CC(C)CC[C@@H](c1ccccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine?
The InChIKey is SSSPYLYQVGKVBO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25F3N2/c1-13(2)7-8-16(22-11-9-21-10-12-22)14-5-3-4-6-15(14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine?
1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine has a molecular weight of 314.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine is sourced from PubChem (CID 171310211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).