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

C19H21ClF2N2O — CID 120735900

IUPAC2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCNCC1c1cccc(F)c1)c1cccc(F)c1.Cl
InChIInChI=1S/C19H20F2N2O.ClH/c1-13(14-4-2-6-16(20)10-14)19(24)23-9-8-22-12-18(23)15-5-3-7-17(21)11-15;/h2-7,10-11,13,18,22H,8-9,12H2,1H3;1H
InChIKeyRVAPIRPKKFPTJU-UHFFFAOYSA-N
MW366.84 g/mol
LogP3.66
Rot. Bonds3

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

2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 120735900) has the molecular formula C19H21ClF2N2O and a molecular weight of 366.84 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID120735900
Molecular FormulaC19H21ClF2N2O
Molecular Weight366.84 g/mol
Exact Mass366.13
IUPAC Name2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCNCC1c1cccc(F)c1)c1cccc(F)c1.Cl
InChIInChI=1S/C19H20F2N2O.ClH/c1-13(14-4-2-6-16(20)10-14)19(24)23-9-8-22-12-18(23)15-5-3-7-17(21)11-15;/h2-7,10-11,13,18,22H,8-9,12H2,1H3;1H
InChIKeyRVAPIRPKKFPTJU-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
CID 120737193
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 120735492
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 120737146
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 120736144
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride
CID 120737787
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-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 120735900) is 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride is CC(C(=O)N1CCNCC1c1cccc(F)c1)c1cccc(F)c1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is RVAPIRPKKFPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O.ClH/c1-13(14-4-2-6-16(20)10-14)19(24)23-9-8-22-12-18(23)15-5-3-7-17(21)11-15;/h2-7,10-11,13,18,22H,8-9,12H2,1H3;1H.
What are the key properties of 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 366.84 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120735900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).