1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride

C14H22ClFN2O3S — CID 120779398

IUPAC1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(F)c1.Cl
InChIInChI=1S/C14H21FN2O3S.ClH/c1-14(2)9-17(7-6-13(14)16)21(18,19)12-5-4-10(20-3)8-11(12)15;/h4-5,8,13H,6-7,9,16H2,1-3H3;1H
InChIKeyLSUUPJJXUDQJLF-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.00
Rot. Bonds3

About 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride

1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120779398) has the molecular formula C14H22ClFN2O3S and a molecular weight of 352.86 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120779398
Molecular FormulaC14H22ClFN2O3S
Molecular Weight352.86 g/mol
Exact Mass352.10
IUPAC Name1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(F)c1.Cl
InChIInChI=1S/C14H21FN2O3S.ClH/c1-14(2)9-17(7-6-13(14)16)21(18,19)12-5-4-10(20-3)8-11(12)15;/h4-5,8,13H,6-7,9,16H2,1-3H3;1H
InChIKeyLSUUPJJXUDQJLF-UHFFFAOYSA-N
XLogP2.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666
1-(4-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779305
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-fluorobenzoate
CID 120778974
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-4-fluorobenzoate
CID 120779192
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-methylbenzoate;hydrochloride
CID 120779111
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779271
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779646
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-methylbenzoate
CID 120779112
1-(2-bromo-4-nitrophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779102
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120779398) is 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride is COc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(F)c1.Cl.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is LSUUPJJXUDQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S.ClH/c1-14(2)9-17(7-6-13(14)16)21(18,19)12-5-4-10(20-3)8-11(12)15;/h4-5,8,13H,6-7,9,16H2,1-3H3;1H.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).