4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine

C21H25F2NS — CID 134146155

IUPAC4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine
SMILESCSc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H25F2NS/c1-25-20-11-8-18(9-12-20)15-24-14-13-21(22,23)19(16-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3
InChIKeyIVQYNOJTBIAFAN-UHFFFAOYSA-N
MW361.50 g/mol
LogP5.50
Rot. Bonds6

About 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine

4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine (PubChem CID 134146155) has the molecular formula C21H25F2NS and a molecular weight of 361.50 g/mol. Its IUPAC name is 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine
PubChem CID134146155
Molecular FormulaC21H25F2NS
Molecular Weight361.50 g/mol
Exact Mass361.17
IUPAC Name4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine
SMILESCSc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H25F2NS/c1-25-20-11-8-18(9-12-20)15-24-14-13-21(22,23)19(16-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3
InChIKeyIVQYNOJTBIAFAN-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperidine
CID 22397829
1-benzyl-4-(3,4-dihydro-2H-thiochromen-2-yl)piperidine
CID 45487204
4-Benzyl-1-[4-(methylthio)benzyl]piperidine
CID 1377005
4-[4-(Methylthio)benzyl]thiomorpholine
CID 1377280
N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine
CID 826771
4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine
CID 12045832
N,N-dimethyl(2-(4-(trifluoromethyl)phenylthio)phenyl)methanamine
CID 16640939
1-Benzyl-4-{[4-(methylthio)phenyl]carbonothioyl}piperazine
CID 971920
(4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione
CID 2209505
1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
CID 14762893
(2-(4-(methylthio)benzyl)phenyl)-N,N-dimethylmethanamine
CID 44568694
Piperidine, 1-methyl-4-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)-
CID 3039939

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine?
The IUPAC name of 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine (CID 134146155) is 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine is CSc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1.
What is the InChIKey of 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine?
The InChIKey is IVQYNOJTBIAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NS/c1-25-20-11-8-18(9-12-20)15-24-14-13-21(22,23)19(16-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3.
What are the key properties of 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine?
4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine has a molecular weight of 361.50 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 134146155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).