4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine

C20H24FNOS — CID 11834839

IUPAC4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine
SMILESCOc1ccc(SCC2CN(C)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNOS/c1-22-12-11-20(15-3-5-17(21)6-4-15)16(13-22)14-24-19-9-7-18(23-2)8-10-19/h3-10,16,20H,11-14H2,1-2H3
InChIKeyMLARQDLTIVCLRN-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.66
Rot. Bonds5

About 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine

4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine (PubChem CID 11834839) has the molecular formula C20H24FNOS and a molecular weight of 345.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine
PubChem CID11834839
Molecular FormulaC20H24FNOS
Molecular Weight345.48 g/mol
Exact Mass345.16
IUPAC Name4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine
SMILESCOc1ccc(SCC2CN(C)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNOS/c1-22-12-11-20(15-3-5-17(21)6-4-15)16(13-22)14-24-19-9-7-18(23-2)8-10-19/h3-10,16,20H,11-14H2,1-2H3
InChIKeyMLARQDLTIVCLRN-UHFFFAOYSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine (CID 11834839) is 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine is COc1ccc(SCC2CN(C)CCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine?
The InChIKey is MLARQDLTIVCLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS/c1-22-12-11-20(15-3-5-17(21)6-4-15)16(13-22)14-24-19-9-7-18(23-2)8-10-19/h3-10,16,20H,11-14H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine?
4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine has a molecular weight of 345.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine is sourced from PubChem (CID 11834839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).