2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride

C18H26ClFN4 — CID 120768669

IUPAC2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
SMILESCC(C)Cn1cc(CN2CCNCC2c2cccc(F)c2)cn1.Cl
InChIInChI=1S/C18H25FN4.ClH/c1-14(2)11-23-13-15(9-21-23)12-22-7-6-20-10-18(22)16-4-3-5-17(19)8-16;/h3-5,8-9,13-14,18,20H,6-7,10-12H2,1-2H3;1H
InChIKeyYBGDNCDZGFDPHI-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.25
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride

2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride (PubChem CID 120768669) has the molecular formula C18H26ClFN4 and a molecular weight of 352.89 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
PubChem CID120768669
Molecular FormulaC18H26ClFN4
Molecular Weight352.89 g/mol
Exact Mass352.18
IUPAC Name2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
SMILESCC(C)Cn1cc(CN2CCNCC2c2cccc(F)c2)cn1.Cl
InChIInChI=1S/C18H25FN4.ClH/c1-14(2)11-23-13-15(9-21-23)12-22-7-6-20-10-18(22)16-4-3-5-17(19)8-16;/h3-5,8-9,13-14,18,20H,6-7,10-12H2,1-2H3;1H
InChIKeyYBGDNCDZGFDPHI-UHFFFAOYSA-N
XLogP3.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 120780133
2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine
CID 120912226
2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 110109099
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 120768428
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 120768704
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride (CID 120768669) is 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride is CC(C)Cn1cc(CN2CCNCC2c2cccc(F)c2)cn1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride?
The InChIKey is YBGDNCDZGFDPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4.ClH/c1-14(2)11-23-13-15(9-21-23)12-22-7-6-20-10-18(22)16-4-3-5-17(19)8-16;/h3-5,8-9,13-14,18,20H,6-7,10-12H2,1-2H3;1H.
What are the key properties of 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride?
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 120768669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).