(3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone

C18H20FN2O+ — CID 6948315

IUPAC(3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone
SMILESC[NH+]1CCN(c2ccc(C(=O)c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C18H19FN2O/c1-20-9-11-21(12-10-20)17-7-5-14(6-8-17)18(22)15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3/p+1
InChIKeyLXIOFNFUQXQVJA-UHFFFAOYSA-O
MW299.37 g/mol
LogP1.39
Rot. Bonds3

About (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone

(3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone (PubChem CID 6948315) has the molecular formula C18H20FN2O+ and a molecular weight of 299.37 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone
PubChem CID6948315
Molecular FormulaC18H20FN2O+
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone
SMILESC[NH+]1CCN(c2ccc(C(=O)c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C18H19FN2O/c1-20-9-11-21(12-10-20)17-7-5-14(6-8-17)18(22)15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3/p+1
InChIKeyLXIOFNFUQXQVJA-UHFFFAOYSA-O
XLogP1.39
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957194
[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-phenylmethanone
CID 5070114
[4-(3-fluorobenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347138
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]-phenylmethanone
CID 7123985
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
ethyl 4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113079816
(4-fluorophenyl)-(4-piperazin-4-ium-1-ylphenyl)methanone
CID 7148698
(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234335
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone (CID 6948315) is (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone is C[NH+]1CCN(c2ccc(C(=O)c3cccc(F)c3)cc2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone?
The InChIKey is LXIOFNFUQXQVJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19FN2O/c1-20-9-11-21(12-10-20)17-7-5-14(6-8-17)18(22)15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3/p+1.
What are the key properties of (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone?
(3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone has a molecular weight of 299.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone is sourced from PubChem (CID 6948315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).