2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine

C17H23FN4 — CID 120756439

IUPAC2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
SMILESCC(C)n1ccnc1CN1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H23FN4/c1-13(2)22-9-7-20-17(22)12-21-8-6-19-11-16(21)14-4-3-5-15(18)10-14/h3-5,7,9-10,13,16,19H,6,8,11-12H2,1-2H3
InChIKeyNHYLZIDHICFWBM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.75
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine

2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine (PubChem CID 120756439) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
PubChem CID120756439
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
SMILESCC(C)n1ccnc1CN1CCNCC1c1cccc(F)c1
InChIInChI=1S/C17H23FN4/c1-13(2)22-9-7-20-17(22)12-21-8-6-19-11-16(21)14-4-3-5-15(18)10-14/h3-5,7,9-10,13,16,19H,6,8,11-12H2,1-2H3
InChIKeyNHYLZIDHICFWBM-UHFFFAOYSA-N
XLogP2.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 120768704
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine
CID 120756289
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 120768428
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 167809253
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine (CID 120756439) is 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine is CC(C)n1ccnc1CN1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The InChIKey is NHYLZIDHICFWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-13(2)22-9-7-20-17(22)12-21-8-6-19-11-16(21)14-4-3-5-15(18)10-14/h3-5,7,9-10,13,16,19H,6,8,11-12H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine has a molecular weight of 302.40 g/mol, XLogP of 2.75, 4 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-propan-2-ylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 120756439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).