[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride

C18H20ClFN2O — CID 120737441

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C18H19FN2O.ClH/c1-13-5-7-14(8-6-13)18(22)21-10-9-20-12-17(21)15-3-2-4-16(19)11-15;/h2-8,11,17,20H,9-10,12H2,1H3;1H
InChIKeyJSHPZUSCLFLBDW-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.34
Rot. Bonds2

About [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride (PubChem CID 120737441) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
PubChem CID120737441
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C18H19FN2O.ClH/c1-13-5-7-14(8-6-13)18(22)21-10-9-20-12-17(21)15-3-2-4-16(19)11-15;/h2-8,11,17,20H,9-10,12H2,1H3;1H
InChIKeyJSHPZUSCLFLBDW-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 120737093
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737828

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride (CID 120737441) is [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride?
The InChIKey is JSHPZUSCLFLBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O.ClH/c1-13-5-7-14(8-6-13)18(22)21-10-9-20-12-17(21)15-3-2-4-16(19)11-15;/h2-8,11,17,20H,9-10,12H2,1H3;1H.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride?
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride has a molecular weight of 334.82 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 120737441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).