1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride

C15H24ClFN2O2S — CID 119961088

IUPAC1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN(S(=O)(=O)c2cc(C)c(F)c(C)c2)C1.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-11-7-14(8-12(2)15(11)16)21(19,20)18-6-4-5-13(10-18)9-17-3;/h7-8,13,17H,4-6,9-10H2,1-3H3;1H
InChIKeyUKBLXDFIUPXTNA-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.48
Rot. Bonds4

About 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride

1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119961088) has the molecular formula C15H24ClFN2O2S and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID119961088
Molecular FormulaC15H24ClFN2O2S
Molecular Weight350.89 g/mol
Exact Mass350.12
IUPAC Name1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN(S(=O)(=O)c2cc(C)c(F)c(C)c2)C1.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-11-7-14(8-12(2)15(11)16)21(19,20)18-6-4-5-13(10-18)9-17-3;/h7-8,13,17H,4-6,9-10H2,1-3H3;1H
InChIKeyUKBLXDFIUPXTNA-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120727080
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119960899
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
2-methyl-4-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120999026
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961329
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(4-bromo-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119960918
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride (CID 119961088) is 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride is CNCC1CCCN(S(=O)(=O)c2cc(C)c(F)c(C)c2)C1.Cl.
What is the InChIKey of 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is UKBLXDFIUPXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S.ClH/c1-11-7-14(8-12(2)15(11)16)21(19,20)18-6-4-5-13(10-18)9-17-3;/h7-8,13,17H,4-6,9-10H2,1-3H3;1H.
What are the key properties of 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119961088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).