1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride

C20H24ClFN2O2 — CID 120737787

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride
SMILESCc1ccc(OC(C)C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-14-6-8-18(9-7-14)25-15(2)20(24)23-11-10-22-13-19(23)16-4-3-5-17(21)12-16;/h3-9,12,15,19,22H,10-11,13H2,1-2H3;1H
InChIKeyNACHDZOKMGEYLV-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride (PubChem CID 120737787) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride
PubChem CID120737787
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride
SMILESCc1ccc(OC(C)C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-14-6-8-18(9-7-14)25-15(2)20(24)23-11-10-22-13-19(23)16-4-3-5-17(21)12-16;/h3-9,12,15,19,22H,10-11,13H2,1-2H3;1H
InChIKeyNACHDZOKMGEYLV-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
CID 120737193
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 120736144
2-butylsulfanyl-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735966
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 120737134
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 120735492
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone;hydrochloride
CID 120737341
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride (CID 120737787) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride is Cc1ccc(OC(C)C(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride?
The InChIKey is NACHDZOKMGEYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.ClH/c1-14-6-8-18(9-7-14)25-15(2)20(24)23-11-10-22-13-19(23)16-4-3-5-17(21)12-16;/h3-9,12,15,19,22H,10-11,13H2,1-2H3;1H.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 120737787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).