2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine

C18H20ClFN2S — CID 86588663

IUPAC2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine
SMILESFc1ccc(CCN2CCC(Sc3cccc(Cl)n3)CC2)cc1
InChIInChI=1S/C18H20ClFN2S/c19-17-2-1-3-18(21-17)23-16-9-12-22(13-10-16)11-8-14-4-6-15(20)7-5-14/h1-7,16H,8-13H2
InChIKeyDHJLFMDRJBWWOF-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.67
Rot. Bonds5

About 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine

2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine (PubChem CID 86588663) has the molecular formula C18H20ClFN2S and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine.

Molecular Properties

Compound Name2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine
PubChem CID86588663
Molecular FormulaC18H20ClFN2S
Molecular Weight350.89 g/mol
Exact Mass350.10
IUPAC Name2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine
SMILESFc1ccc(CCN2CCC(Sc3cccc(Cl)n3)CC2)cc1
InChIInChI=1S/C18H20ClFN2S/c19-17-2-1-3-18(21-17)23-16-9-12-22(13-10-16)11-8-14-4-6-15(20)7-5-14/h1-7,16H,8-13H2
InChIKeyDHJLFMDRJBWWOF-UHFFFAOYSA-N
XLogP4.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine?
The IUPAC name of 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine (CID 86588663) is 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine.
What is the SMILES notation for 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine?
The canonical SMILES for 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine is Fc1ccc(CCN2CCC(Sc3cccc(Cl)n3)CC2)cc1.
What is the InChIKey of 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine?
The InChIKey is DHJLFMDRJBWWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2S/c19-17-2-1-3-18(21-17)23-16-9-12-22(13-10-16)11-8-14-4-6-15(20)7-5-14/h1-7,16H,8-13H2.
What are the key properties of 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine?
2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine has a molecular weight of 350.89 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine is sourced from PubChem (CID 86588663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).