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

C20H25ClFNOS — CID 23723150

IUPAC4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
SMILESCOc1ccc(SCC2CN(C)CCC2c2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C20H24FNOS.ClH/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;1H
InChIKeyGCMRHHNFYUDBGB-UHFFFAOYSA-N
MW381.94 g/mol
LogP5.08
Rot. Bonds5

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

4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride (PubChem CID 23723150) has the molecular formula C20H25ClFNOS and a molecular weight of 381.94 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
PubChem CID23723150
Molecular FormulaC20H25ClFNOS
Molecular Weight381.94 g/mol
Exact Mass381.13
IUPAC Name4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
SMILESCOc1ccc(SCC2CN(C)CCC2c2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C20H24FNOS.ClH/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;1H
InChIKeyGCMRHHNFYUDBGB-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.94
LogP ≤ 55.08
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;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride (CID 23723150) is 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride is COc1ccc(SCC2CN(C)CCC2c2ccc(F)cc2)cc1.Cl.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride?
The InChIKey is GCMRHHNFYUDBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS.ClH/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;1H.
What are the key properties of 4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride?
4-(4-fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride has a molecular weight of 381.94 g/mol, XLogP of 5.08, 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;hydrochloride is sourced from PubChem (CID 23723150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).