1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C13H19ClF2N2O2S — CID 119974584

IUPAC1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.Cl
InChIInChI=1S/C13H18F2N2O2S.ClH/c1-9(16)10-5-7-17(8-6-10)20(18,19)13-11(14)3-2-4-12(13)15;/h2-4,9-10H,5-8,16H2,1H3;1H
InChIKeyNDVNNRJMNHONTQ-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.13
Rot. Bonds3

About 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119974584) has the molecular formula C13H19ClF2N2O2S and a molecular weight of 340.82 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID119974584
Molecular FormulaC13H19ClF2N2O2S
Molecular Weight340.82 g/mol
Exact Mass340.08
IUPAC Name1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.Cl
InChIInChI=1S/C13H18F2N2O2S.ClH/c1-9(16)10-5-7-17(8-6-10)20(18,19)13-11(14)3-2-4-12(13)15;/h2-4,9-10H,5-8,16H2,1H3;1H
InChIKeyNDVNNRJMNHONTQ-UHFFFAOYSA-N
XLogP2.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974696
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974697
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927
1-[1-(3-fluoro-4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974631
1-[1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984478
1-[1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583021
1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975104

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 119974584) is 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.Cl.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is NDVNNRJMNHONTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S.ClH/c1-9(16)10-5-7-17(8-6-10)20(18,19)13-11(14)3-2-4-12(13)15;/h2-4,9-10H,5-8,16H2,1H3;1H.
What are the key properties of 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 340.82 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119974584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).