1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine

C15H15Cl2FN3+ — CID 9363085

IUPAC1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(c2[nH+]cc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H14Cl2FN3/c16-11-9-12(17)15(19-10-11)21-7-5-20(6-8-21)14-4-2-1-3-13(14)18/h1-4,9-10H,5-8H2/p+1
InChIKeyWLUGHTWSDPGLMK-UHFFFAOYSA-O
MW327.21 g/mol
LogP3.27
Rot. Bonds2

About 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine

1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine (PubChem CID 9363085) has the molecular formula C15H15Cl2FN3+ and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine
PubChem CID9363085
Molecular FormulaC15H15Cl2FN3+
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(c2[nH+]cc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H14Cl2FN3/c16-11-9-12(17)15(19-10-11)21-7-5-20(6-8-21)14-4-2-1-3-13(14)18/h1-4,9-10H,5-8H2/p+1
InChIKeyWLUGHTWSDPGLMK-UHFFFAOYSA-O
XLogP3.27
TPSA20.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108990215
(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 975323
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 3554016
8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline
CID 20922964
1-(2-fluorophenyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine
CID 7085073
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80775135
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
3-(2,4-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029884

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine (CID 9363085) is 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(c2[nH+]cc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine?
The InChIKey is WLUGHTWSDPGLMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14Cl2FN3/c16-11-9-12(17)15(19-10-11)21-7-5-20(6-8-21)14-4-2-1-3-13(14)18/h1-4,9-10H,5-8H2/p+1.
What are the key properties of 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine?
1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine has a molecular weight of 327.21 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 9363085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).