4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine

C19H22FNOS — CID 22126891

IUPAC4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine
SMILESCSc1ccc(COC2CNCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNOS/c1-23-17-8-2-14(3-9-17)13-22-19-12-21-11-10-18(19)15-4-6-16(20)7-5-15/h2-9,18-19,21H,10-13H2,1H3
InChIKeyZCFKIULAVJPFGH-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.21
Rot. Bonds5

About 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine

4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine (PubChem CID 22126891) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine
PubChem CID22126891
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine
SMILESCSc1ccc(COC2CNCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNOS/c1-23-17-8-2-14(3-9-17)13-22-19-12-21-11-10-18(19)15-4-6-16(20)7-5-15/h2-9,18-19,21H,10-13H2,1H3
InChIKeyZCFKIULAVJPFGH-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine?
The IUPAC name of 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine (CID 22126891) is 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine is CSc1ccc(COC2CNCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine?
The InChIKey is ZCFKIULAVJPFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-23-17-8-2-14(3-9-17)13-22-19-12-21-11-10-18(19)15-4-6-16(20)7-5-15/h2-9,18-19,21H,10-13H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine?
4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine has a molecular weight of 331.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine is sourced from PubChem (CID 22126891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).