1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine

C15H21F3N2 — CID 171166542

IUPAC1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(F)c(F)cc1F)N1CCNCC1
InChIInChI=1S/C15H21F3N2/c1-2-3-4-15(20-7-5-19-6-8-20)11-9-13(17)14(18)10-12(11)16/h9-10,15,19H,2-8H2,1H3/t15-/m0/s1
InChIKeyADLSQENDTRZSOD-HNNXBMFYSA-N
MW286.34 g/mol
LogP3.24
Rot. Bonds5

About 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine

1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine (PubChem CID 171166542) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
PubChem CID171166542
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(F)c(F)cc1F)N1CCNCC1
InChIInChI=1S/C15H21F3N2/c1-2-3-4-15(20-7-5-19-6-8-20)11-9-13(17)14(18)10-12(11)16/h9-10,15,19H,2-8H2,1H3/t15-/m0/s1
InChIKeyADLSQENDTRZSOD-HNNXBMFYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[(1S)-1-(2,4,5-trifluorophenyl)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)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1R)-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171292983
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
1-[(1R)-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butyl]piperazine
CID 171171915
1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine
CID 171170039
3-fluoro-4-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171308647
1-[(1R)-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171303885
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
(2S)-2-piperazin-1-yl-2-(2,4,5-trifluorophenyl)ethanol
CID 171173945
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308638
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171163026
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine (CID 171166542) is 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine is CCCC[C@@H](c1cc(F)c(F)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine?
The InChIKey is ADLSQENDTRZSOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-3-4-15(20-7-5-19-6-8-20)11-9-13(17)14(18)10-12(11)16/h9-10,15,19H,2-8H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine?
1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine has a molecular weight of 286.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine is sourced from PubChem (CID 171166542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).