2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide

C20H23FN2O2 — CID 136569036

IUPAC2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide
SMILESCc1cccc(C2(O)CCN(c3cccc(F)c3C(N)=O)CC2)c1C
InChIInChI=1S/C20H23FN2O2/c1-13-5-3-6-15(14(13)2)20(25)9-11-23(12-10-20)17-8-4-7-16(21)18(17)19(22)24/h3-8,25H,9-12H2,1-2H3,(H2,22,24)
InChIKeyNMMSRWZOCJIXBK-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.03
Rot. Bonds3

About 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide

2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide (PubChem CID 136569036) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide
PubChem CID136569036
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide
SMILESCc1cccc(C2(O)CCN(c3cccc(F)c3C(N)=O)CC2)c1C
InChIInChI=1S/C20H23FN2O2/c1-13-5-3-6-15(14(13)2)20(25)9-11-23(12-10-20)17-8-4-7-16(21)18(17)19(22)24/h3-8,25H,9-12H2,1-2H3,(H2,22,24)
InChIKeyNMMSRWZOCJIXBK-UHFFFAOYSA-N
XLogP3.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide (CID 136569036) is 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide is Cc1cccc(C2(O)CCN(c3cccc(F)c3C(N)=O)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide?
The InChIKey is NMMSRWZOCJIXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13-5-3-6-15(14(13)2)20(25)9-11-23(12-10-20)17-8-4-7-16(21)18(17)19(22)24/h3-8,25H,9-12H2,1-2H3,(H2,22,24).
What are the key properties of 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide?
2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide has a molecular weight of 342.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)-4-hydroxypiperidin-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 136569036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).