1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine

C15H21F3N2 — CID 171170039

IUPAC1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(F)cc(F)c1F)N1CCNCC1
InChIInChI=1S/C15H21F3N2/c1-2-3-4-14(20-7-5-19-6-8-20)12-9-11(16)10-13(17)15(12)18/h9-10,14,19H,2-8H2,1H3/t14-/m1/s1
InChIKeyFAGUBNGTBLINOU-CQSZACIVSA-N
MW286.34 g/mol
LogP3.24
Rot. Bonds5

About 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine

1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine (PubChem CID 171170039) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine
PubChem CID171170039
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(F)cc(F)c1F)N1CCNCC1
InChIInChI=1S/C15H21F3N2/c1-2-3-4-14(20-7-5-19-6-8-20)12-9-11(16)10-13(17)15(12)18/h9-10,14,19H,2-8H2,1H3/t14-/m1/s1
InChIKeyFAGUBNGTBLINOU-CQSZACIVSA-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'}

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Related Compounds

1-[(1R)-1-(2,3,5-trifluorophenyl)hexyl]piperazine
CID 171170057
1-[(1R)-1-(2,3,5-trifluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307818
1-[(1S)-1-(2,3,5-trifluorophenyl)hexyl]piperazine;dihydrochloride
CID 171309116
1-[(1R)-4-methyl-1-(2,3,5-trifluorophenyl)pentyl]piperazine;dihydrochloride
CID 171310928
1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171170108
1-[(1R)-1-(2,3,5-trifluorophenyl)hept-6-enyl]piperazine
CID 171170071
1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171166542
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
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-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
CID 171163752

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine (CID 171170039) is 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine is CCCC[C@H](c1cc(F)cc(F)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine?
The InChIKey is FAGUBNGTBLINOU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-3-4-14(20-7-5-19-6-8-20)12-9-11(16)10-13(17)15(12)18/h9-10,14,19H,2-8H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine?
1-[(1R)-1-(2,3,5-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-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine is sourced from PubChem (CID 171170039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).