4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine

C20H23ClFNOS — CID 57391306

IUPAC4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine
SMILESO=S(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H23ClFNOS/c21-18-4-2-16(3-5-18)17-10-13-23(14-11-17)12-1-15-25(24)20-8-6-19(22)7-9-20/h2-9,17H,1,10-15H2
InChIKeyYUXGGLCIOFCGBA-UHFFFAOYSA-N
MW379.93 g/mol
LogP4.86
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine

4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine (PubChem CID 57391306) has the molecular formula C20H23ClFNOS and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine
PubChem CID57391306
Molecular FormulaC20H23ClFNOS
Molecular Weight379.93 g/mol
Exact Mass379.12
IUPAC Name4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine
SMILESO=S(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H23ClFNOS/c21-18-4-2-16(3-5-18)17-10-13-23(14-11-17)12-1-15-25(24)20-8-6-19(22)7-9-20/h2-9,17H,1,10-15H2
InChIKeyYUXGGLCIOFCGBA-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine?
The IUPAC name of 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine (CID 57391306) is 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine?
The canonical SMILES for 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine is O=S(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine?
The InChIKey is YUXGGLCIOFCGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNOS/c21-18-4-2-16(3-5-18)17-10-13-23(14-11-17)12-1-15-25(24)20-8-6-19(22)7-9-20/h2-9,17H,1,10-15H2.
What are the key properties of 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine?
4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine has a molecular weight of 379.93 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine is sourced from PubChem (CID 57391306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).