1-benzyl-4-(2,4-difluorophenyl)piperazine

C17H18F2N2 — CID 110454865

IUPAC1-benzyl-4-(2,4-difluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C17H18F2N2/c18-15-6-7-17(16(19)12-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyULODCDKUHSMGJQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.29
Rot. Bonds3

About 1-benzyl-4-(2,4-difluorophenyl)piperazine

1-benzyl-4-(2,4-difluorophenyl)piperazine (PubChem CID 110454865) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-benzyl-4-(2,4-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2,4-difluorophenyl)piperazine
PubChem CID110454865
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-benzyl-4-(2,4-difluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C17H18F2N2/c18-15-6-7-17(16(19)12-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyULODCDKUHSMGJQ-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892
1-[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid
CID 18423009
1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
CID 110452591
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine
CID 155710280
4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine
CID 170870614
4-[3-[2-(4-benzylpiperazin-1-yl)-5-fluorophenyl]propyl]morpholine
CID 170870600
1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
CID 123523623
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 113190652
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetonitrile
CID 82116841

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,4-difluorophenyl)piperazine?
The IUPAC name of 1-benzyl-4-(2,4-difluorophenyl)piperazine (CID 110454865) is 1-benzyl-4-(2,4-difluorophenyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2,4-difluorophenyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2,4-difluorophenyl)piperazine is Fc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 1-benzyl-4-(2,4-difluorophenyl)piperazine?
The InChIKey is ULODCDKUHSMGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-15-6-7-17(16(19)12-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-benzyl-4-(2,4-difluorophenyl)piperazine?
1-benzyl-4-(2,4-difluorophenyl)piperazine has a molecular weight of 288.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,4-difluorophenyl)piperazine is sourced from PubChem (CID 110454865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).