1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine

C13H18F2N2S — CID 54927801

IUPAC1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccccc2SC(F)F)CC1
InChIInChI=1S/C13H18F2N2S/c1-16-10-6-8-17(9-7-10)11-4-2-3-5-12(11)18-13(14)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeyCWWLCIOEIAECBJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine

1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine (PubChem CID 54927801) has the molecular formula C13H18F2N2S and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine
PubChem CID54927801
Molecular FormulaC13H18F2N2S
Molecular Weight272.36 g/mol
Exact Mass272.12
IUPAC Name1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccccc2SC(F)F)CC1
InChIInChI=1S/C13H18F2N2S/c1-16-10-6-8-17(9-7-10)11-4-2-3-5-12(11)18-13(14)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeyCWWLCIOEIAECBJ-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396526
bis[2-[4-(methylamino)piperidin-1-yl]phenyl]methanone
CID 152676242
1-[2-(difluoromethylsulfanyl)phenyl]-3-ethylpiperazine
CID 64925477
N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 54923585
N-methyl-1-(2-phenoxyphenyl)piperidin-4-amine
CID 43315200
N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315016
2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43307604
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 55119359
2-fluoro-3-[3-(methylamino)pyrrolidin-1-yl]benzonitrile
CID 129117736

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine (CID 54927801) is 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine is CNC1CCN(c2ccccc2SC(F)F)CC1.
What is the InChIKey of 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine?
The InChIKey is CWWLCIOEIAECBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2S/c1-16-10-6-8-17(9-7-10)11-4-2-3-5-12(11)18-13(14)15/h2-5,10,13,16H,6-9H2,1H3.
What are the key properties of 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine?
1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 54927801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).