1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine

C14H19F3N2 — CID 171170223

IUPAC1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
SMILESCCC[C@H](c1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C14H19F3N2/c1-2-3-12(19-8-6-18-7-9-19)10-4-5-11(15)14(17)13(10)16/h4-5,12,18H,2-3,6-9H2,1H3/t12-/m1/s1
InChIKeyLFYAOFLNCVGPIL-GFCCVEGCSA-N
MW272.31 g/mol
LogP2.85
Rot. Bonds4

About 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine

1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine (PubChem CID 171170223) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
PubChem CID171170223
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
SMILESCCC[C@H](c1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C14H19F3N2/c1-2-3-12(19-8-6-18-7-9-19)10-4-5-11(15)14(17)13(10)16/h4-5,12,18H,2-3,6-9H2,1H3/t12-/m1/s1
InChIKeyLFYAOFLNCVGPIL-GFCCVEGCSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
CID 171169482
(3R)-3-piperazin-1-yl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 171173703
1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277985
2-bromo-3-fluoro-6-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171298103
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)butyl]piperazine
CID 171168534
1-[(1R)-3,3,3-trifluoro-1-(2,3,4-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171303690
2-fluoro-3-methyl-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300383
1-[(1S)-1-(3-bromo-2-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171276705
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
3-fluoro-4-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171273298
1-[(1R)-1-(2,3,4-trifluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170272
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride
CID 171171970

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine (CID 171170223) is 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine is CCC[C@H](c1ccc(F)c(F)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine?
The InChIKey is LFYAOFLNCVGPIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-3-12(19-8-6-18-7-9-19)10-4-5-11(15)14(17)13(10)16/h4-5,12,18H,2-3,6-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine?
1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine has a molecular weight of 272.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine is sourced from PubChem (CID 171170223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).