1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine

C16H22ClF3N2 — CID 171165458

IUPAC1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C16H22ClF3N2/c1-15(2,3)14(22-8-6-21-7-9-22)11-4-5-13(17)12(10-11)16(18,19)20/h4-5,10,14,21H,6-9H2,1-3H3/t14-/m1/s1
InChIKeyQPTQXGCBQVUUCT-CQSZACIVSA-N
MW334.81 g/mol
LogP4.35
Rot. Bonds2

About 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine

1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine (PubChem CID 171165458) has the molecular formula C16H22ClF3N2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine
PubChem CID171165458
Molecular FormulaC16H22ClF3N2
Molecular Weight334.81 g/mol
Exact Mass334.14
IUPAC Name1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C16H22ClF3N2/c1-15(2,3)14(22-8-6-21-7-9-22)11-4-5-13(17)12(10-11)16(18,19)20/h4-5,10,14,21H,6-9H2,1-3H3/t14-/m1/s1
InChIKeyQPTQXGCBQVUUCT-CQSZACIVSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]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)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171296146
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165445
1-[(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280114
1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4258911
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 4295254
1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine
CID 171180022
1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluoropropyl]piperazine;hydrochloride
CID 171170858
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluoropropyl]piperazine;hydrochloride
CID 171165467
(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171173820
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171292788
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280166
1-[(1S)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287544

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine?
The IUPAC name of 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine (CID 171165458) is 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine is CC(C)(C)[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine?
The InChIKey is QPTQXGCBQVUUCT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22ClF3N2/c1-15(2,3)14(22-8-6-21-7-9-22)11-4-5-13(17)12(10-11)16(18,19)20/h4-5,10,14,21H,6-9H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine?
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine has a molecular weight of 334.81 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine is sourced from PubChem (CID 171165458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).