1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine

C15H22F2N2S — CID 79396526

IUPAC1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccccc2SC(F)F)C(C)C1C
InChIInChI=1S/C15H22F2N2S/c1-10-11(2)19(9-8-12(10)18-3)13-6-4-5-7-14(13)20-15(16)17/h4-7,10-12,15,18H,8-9H2,1-3H3
InChIKeyAOQMTHRFXNMQLM-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.82
Rot. Bonds4

About 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine

1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79396526) has the molecular formula C15H22F2N2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
PubChem CID79396526
Molecular FormulaC15H22F2N2S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccccc2SC(F)F)C(C)C1C
InChIInChI=1S/C15H22F2N2S/c1-10-11(2)19(9-8-12(10)18-3)13-6-4-5-7-14(13)20-15(16)17/h4-7,10-12,15,18H,8-9H2,1-3H3
InChIKeyAOQMTHRFXNMQLM-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407513
N,2,3-trimethyl-1-(2-propylphenyl)piperidin-4-amine
CID 79408012
1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine
CID 54927801
1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 107528747
1-(2,5-difluoro-4-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 103586219
1-(2,4-dichlorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397447
N,2,3-trimethyl-1-naphthalen-2-ylpiperidin-4-amine
CID 79406565
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396570
1-(4-fluoro-2-methoxyphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407907
1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396868
1-(4-tert-butylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397118
1-(2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine (CID 79396526) is 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2ccccc2SC(F)F)C(C)C1C.
What is the InChIKey of 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is AOQMTHRFXNMQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2S/c1-10-11(2)19(9-8-12(10)18-3)13-6-4-5-7-14(13)20-15(16)17/h4-7,10-12,15,18H,8-9H2,1-3H3.
What are the key properties of 1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine?
1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 300.42 g/mol, XLogP of 3.82, 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,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79396526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).