1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride

C18H22Cl2FN3O — CID 120735492

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCNCC1c1cccc(F)c1)c1cccnc1.Cl.Cl
InChIInChI=1S/C18H20FN3O.2ClH/c1-13(15-5-3-7-20-11-15)18(23)22-9-8-21-12-17(22)14-4-2-6-16(19)10-14;;/h2-7,10-11,13,17,21H,8-9,12H2,1H3;2*1H
InChIKeyATCNDFLRVQZZGZ-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.34
Rot. Bonds3

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride (PubChem CID 120735492) has the molecular formula C18H22Cl2FN3O and a molecular weight of 386.30 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
PubChem CID120735492
Molecular FormulaC18H22Cl2FN3O
Molecular Weight386.30 g/mol
Exact Mass385.11
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCNCC1c1cccc(F)c1)c1cccnc1.Cl.Cl
InChIInChI=1S/C18H20FN3O.2ClH/c1-13(15-5-3-7-20-11-15)18(23)22-9-8-21-12-17(22)14-4-2-6-16(19)10-14;;/h2-7,10-11,13,17,21H,8-9,12H2,1H3;2*1H
InChIKeyATCNDFLRVQZZGZ-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
CID 120737193
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120738127
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 120737134
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-phenoxypropan-1-one
CID 120737414
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-morpholin-4-ylpropan-1-one
CID 120736144
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride (CID 120735492) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride is CC(C(=O)N1CCNCC1c1cccc(F)c1)c1cccnc1.Cl.Cl.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride?
The InChIKey is ATCNDFLRVQZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O.2ClH/c1-13(15-5-3-7-20-11-15)18(23)22-9-8-21-12-17(22)14-4-2-6-16(19)10-14;;/h2-7,10-11,13,17,21H,8-9,12H2,1H3;2*1H.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride has a molecular weight of 386.30 g/mol, XLogP of 3.34, 3 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-pyridin-3-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120735492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).