2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline

C14H20F2N2S — CID 55100178

IUPAC2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1ccccc1SC(F)F
InChIInChI=1S/C14H20F2N2S/c1-18-9-5-4-6-11(18)10-17-12-7-2-3-8-13(12)19-14(15)16/h2-3,7-8,11,14,17H,4-6,9-10H2,1H3
InChIKeyBYTJQENWSCKGNB-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.90
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline

2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 55100178) has the molecular formula C14H20F2N2S and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID55100178
Molecular FormulaC14H20F2N2S
Molecular Weight286.39 g/mol
Exact Mass286.13
IUPAC Name2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1ccccc1SC(F)F
InChIInChI=1S/C14H20F2N2S/c1-18-9-5-4-6-11(18)10-17-12-7-2-3-8-13(12)19-14(15)16/h2-3,7-8,11,14,17H,4-6,9-10H2,1H3
InChIKeyBYTJQENWSCKGNB-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658648
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 104716575
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62654307
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 62655278
2-(difluoromethylsulfanyl)-N-(piperidin-3-ylmethyl)aniline
CID 80553229
1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea
CID 70821492
N-[(1-methylpiperidin-2-yl)methyl]-2,1,3-benzoselenadiazol-4-amine
CID 62658263
1-N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylbenzene-1,2-diamine
CID 82003046
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 55100178) is 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline is CN1CCCCC1CNc1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is BYTJQENWSCKGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2S/c1-18-9-5-4-6-11(18)10-17-12-7-2-3-8-13(12)19-14(15)16/h2-3,7-8,11,14,17H,4-6,9-10H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline?
2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 55100178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).