1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone

C21H25NO2 — CID 23618284

IUPAC1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCCC(C)(c2cccc(O)c2)C1C
InChIInChI=1S/C21H25NO2/c1-15(23)19-10-4-5-11-20(19)22-13-7-12-21(3,16(22)2)17-8-6-9-18(24)14-17/h4-6,8-11,14,16,24H,7,12-13H2,1-3H3
InChIKeyFSXDDKIEJDRBHN-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.54
Rot. Bonds3

About 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone

1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone (PubChem CID 23618284) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone
PubChem CID23618284
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCCC(C)(c2cccc(O)c2)C1C
InChIInChI=1S/C21H25NO2/c1-15(23)19-10-4-5-11-20(19)22-13-7-12-21(3,16(22)2)17-8-6-9-18(24)14-17/h4-6,8-11,14,16,24H,7,12-13H2,1-3H3
InChIKeyFSXDDKIEJDRBHN-UHFFFAOYSA-N
XLogP4.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone (CID 23618284) is 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone is CC(=O)c1ccccc1N1CCCC(C)(c2cccc(O)c2)C1C.
What is the InChIKey of 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone?
The InChIKey is FSXDDKIEJDRBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(23)19-10-4-5-11-20(19)22-13-7-12-21(3,16(22)2)17-8-6-9-18(24)14-17/h4-6,8-11,14,16,24H,7,12-13H2,1-3H3.
What are the key properties of 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone?
1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 23618284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).