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

C20H24ClFN2O — CID 120737193

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
SMILESCc1cccc(C(C)C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl
InChIInChI=1S/C20H23FN2O.ClH/c1-14-5-3-6-16(11-14)15(2)20(24)23-10-9-22-13-19(23)17-7-4-8-18(21)12-17;/h3-8,11-12,15,19,22H,9-10,13H2,1-2H3;1H
InChIKeyLTCBADBJEACQIJ-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.83
Rot. Bonds3

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

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride (PubChem CID 120737193) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
PubChem CID120737193
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
SMILESCc1cccc(C(C)C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl
InChIInChI=1S/C20H23FN2O.ClH/c1-14-5-3-6-16(11-14)15(2)20(24)23-10-9-22-13-19(23)17-7-4-8-18(21)12-17;/h3-8,11-12,15,19,22H,9-10,13H2,1-2H3;1H
InChIKeyLTCBADBJEACQIJ-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 120735492
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride
CID 120737787
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 120737146
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 120736144
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride (CID 120737193) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride is Cc1cccc(C(C)C(=O)N2CCNCC2c2cccc(F)c2)c1.Cl.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride?
The InChIKey is LTCBADBJEACQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.ClH/c1-14-5-3-6-16(11-14)15(2)20(24)23-10-9-22-13-19(23)17-7-4-8-18(21)12-17;/h3-8,11-12,15,19,22H,9-10,13H2,1-2H3;1H.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 120737193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).