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

C18H20ClFN2OS — CID 15551949

IUPAC2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine
SMILESO=S(c1cccc(Cl)n1)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20ClFN2OS/c19-17-2-1-3-18(21-17)24(23)16-9-12-22(13-10-16)11-8-14-4-6-15(20)7-5-14/h1-7,16H,8-13H2
InChIKeyHGQORNJPDUNICC-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.69
Rot. Bonds5

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

2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine (PubChem CID 15551949) has the molecular formula C18H20ClFN2OS and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine.

Molecular Properties

Compound Name2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine
PubChem CID15551949
Molecular FormulaC18H20ClFN2OS
Molecular Weight366.89 g/mol
Exact Mass366.10
IUPAC Name2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine
SMILESO=S(c1cccc(Cl)n1)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20ClFN2OS/c19-17-2-1-3-18(21-17)24(23)16-9-12-22(13-10-16)11-8-14-4-6-15(20)7-5-14/h1-7,16H,8-13H2
InChIKeyHGQORNJPDUNICC-UHFFFAOYSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.69
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]sulfinylpyridine?
The IUPAC name of 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine (CID 15551949) is 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine.
What is the SMILES notation for 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine?
The canonical SMILES for 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine is O=S(c1cccc(Cl)n1)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine?
The InChIKey is HGQORNJPDUNICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2OS/c19-17-2-1-3-18(21-17)24(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]sulfinylpyridine?
2-chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine has a molecular weight of 366.89 g/mol, XLogP of 3.69, 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]sulfinylpyridine is sourced from PubChem (CID 15551949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).