(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C16H14Cl2FN3O — CID 46798589

IUPAC(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H14Cl2FN3O/c17-14-9-11(10-20-15(14)18)16(23)22-7-5-21(6-8-22)13-3-1-12(19)2-4-13/h1-4,9-10H,5-8H2
InChIKeyNSCPRJIKWMVSAR-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.49
Rot. Bonds2

About (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 46798589) has the molecular formula C16H14Cl2FN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID46798589
Molecular FormulaC16H14Cl2FN3O
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H14Cl2FN3O/c17-14-9-11(10-20-15(14)18)16(23)22-7-5-21(6-8-22)13-3-1-12(19)2-4-13/h1-4,9-10H,5-8H2
InChIKeyNSCPRJIKWMVSAR-UHFFFAOYSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109159681
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
(2,5-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029906
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742

Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 46798589) is (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cnc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NSCPRJIKWMVSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3O/c17-14-9-11(10-20-15(14)18)16(23)22-7-5-21(6-8-22)13-3-1-12(19)2-4-13/h1-4,9-10H,5-8H2.
What are the key properties of (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 354.21 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46798589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).