4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine

C19H20Cl2FNS — CID 12694051

IUPAC4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine
SMILESCN1CCC(SCc2ccc(Cl)cc2Cl)(c2ccccc2F)CC1
InChIInChI=1S/C19H20Cl2FNS/c1-23-10-8-19(9-11-23,16-4-2-3-5-18(16)22)24-13-14-6-7-15(20)12-17(14)21/h2-7,12H,8-11,13H2,1H3
InChIKeyIGZAYPLCYNOIGZ-UHFFFAOYSA-N
MW384.35 g/mol
LogP5.99
Rot. Bonds4

About 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine

4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine (PubChem CID 12694051) has the molecular formula C19H20Cl2FNS and a molecular weight of 384.35 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine
PubChem CID12694051
Molecular FormulaC19H20Cl2FNS
Molecular Weight384.35 g/mol
Exact Mass383.07
IUPAC Name4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine
SMILESCN1CCC(SCc2ccc(Cl)cc2Cl)(c2ccccc2F)CC1
InChIInChI=1S/C19H20Cl2FNS/c1-23-10-8-19(9-11-23,16-4-2-3-5-18(16)22)24-13-14-6-7-15(20)12-17(14)21/h2-7,12H,8-11,13H2,1H3
InChIKeyIGZAYPLCYNOIGZ-UHFFFAOYSA-N
XLogP5.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.35
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine
CID 57391306
4-(4-Chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine
CID 57394810
3-(2-Chlorophenyl)-1,3-dihydro-1'-methylspiro[benzo(c)thiophene-1,4'-piperidine]
CID 12694073
3-(4-Chlorophenyl)-1,3-dihydro-1'-methylspiro[benzo(c)thiophene-1,4'-piperidine]
CID 12694077
1-(2,4-dichlorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine];hydrobromide
CID 12694079
1-(2,4-dichlorophenyl)spiro[1H-2-benzothiophene-3,4'-piperidine]
CID 12694116
Piperidine, 1-(3-(p-chlorophenyl)-3-(phenylthio)propyl)-, hydrochloride
CID 3062940
2-[2-[2-(4-Chlorophenyl)-1,3-dithian-2-yl]ethyl]-1-methylpiperidine
CID 44349800
2-[[2-(4-Chlorophenyl)-1,3-dithian-2-yl]methyl]-1-methylpiperidine
CID 44350098
4-[(2-Chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine
CID 12694045
4-(4-Chlorobenzylthio)-4-(2-fluorophenyl)-1-methylpiperidine
CID 12694049
4-[(3,4-Dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine
CID 12694053

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine?
The IUPAC name of 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine (CID 12694051) is 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine is CN1CCC(SCc2ccc(Cl)cc2Cl)(c2ccccc2F)CC1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine?
The InChIKey is IGZAYPLCYNOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNS/c1-23-10-8-19(9-11-23,16-4-2-3-5-18(16)22)24-13-14-6-7-15(20)12-17(14)21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine?
4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine has a molecular weight of 384.35 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine is sourced from PubChem (CID 12694051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).