1-benzyl-4-(2,3,4-trifluorophenyl)piperazine

C17H17F3N2 — CID 110452591

IUPAC1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1F
InChIInChI=1S/C17H17F3N2/c18-14-6-7-15(17(20)16(14)19)22-10-8-21(9-11-22)12-13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyIUQPDCOYMNOAPU-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.43
Rot. Bonds3

About 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine

1-benzyl-4-(2,3,4-trifluorophenyl)piperazine (PubChem CID 110452591) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
PubChem CID110452591
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1F
InChIInChI=1S/C17H17F3N2/c18-14-6-7-15(17(20)16(14)19)22-10-8-21(9-11-22)12-13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyIUQPDCOYMNOAPU-UHFFFAOYSA-N
XLogP3.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 95506080
azane;2-(4-benzylpiperazin-1-yl)-6-fluorobenzoic acid
CID 174394059
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
(5R)-N,N-dibenzyl-3-(2,3,4-trifluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 91431585
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
CID 110454799

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine?
The IUPAC name of 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine (CID 110452591) is 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine is Fc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1F.
What is the InChIKey of 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine?
The InChIKey is IUQPDCOYMNOAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2/c18-14-6-7-15(17(20)16(14)19)22-10-8-21(9-11-22)12-13-4-2-1-3-5-13/h1-7H,8-12H2.
What are the key properties of 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine?
1-benzyl-4-(2,3,4-trifluorophenyl)piperazine has a molecular weight of 306.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,3,4-trifluorophenyl)piperazine is sourced from PubChem (CID 110452591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).