1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride

C20H22ClFN2O2 — CID 120736893

IUPAC1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C20H21FN2O2.ClH/c1-2-19(24)14-6-8-15(9-7-14)20(25)23-11-10-22-13-18(23)16-4-3-5-17(21)12-16;/h3-9,12,18,22H,2,10-11,13H2,1H3;1H
InChIKeyDEBZHYVWGVFXAH-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.63
Rot. Bonds4

About 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride

1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride (PubChem CID 120736893) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
PubChem CID120736893
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C20H21FN2O2.ClH/c1-2-19(24)14-6-8-15(9-7-14)20(25)23-11-10-22-13-18(23)16-4-3-5-17(21)12-16;/h3-9,12,18,22H,2,10-11,13H2,1H3;1H
InChIKeyDEBZHYVWGVFXAH-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120736985
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737828
N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 120737744
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride?
The IUPAC name of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride (CID 120736893) is 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride is CCC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl.
What is the InChIKey of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride?
The InChIKey is DEBZHYVWGVFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2.ClH/c1-2-19(24)14-6-8-15(9-7-14)20(25)23-11-10-22-13-18(23)16-4-3-5-17(21)12-16;/h3-9,12,18,22H,2,10-11,13H2,1H3;1H.
What are the key properties of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride?
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride has a molecular weight of 376.86 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 120736893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).