1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

C24H29NO3 — CID 127025760

IUPAC1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
SMILESCC(=O)N1C(C)(C)CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1(C)C
InChIInChI=1S/C24H29NO3/c1-16(26)25-23(2,3)14-19(15-24(25,4)5)22(17-6-10-20(27)11-7-17)18-8-12-21(28)13-9-18/h6-13,27-28H,14-15H2,1-5H3
InChIKeySJRKHPVPEYOAKW-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.10
Rot. Bonds2

About 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (PubChem CID 127025760) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
PubChem CID127025760
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
SMILESCC(=O)N1C(C)(C)CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1(C)C
InChIInChI=1S/C24H29NO3/c1-16(26)25-23(2,3)14-19(15-24(25,4)5)22(17-6-10-20(27)11-7-17)18-8-12-21(28)13-9-18/h6-13,27-28H,14-15H2,1-5H3
InChIKeySJRKHPVPEYOAKW-UHFFFAOYSA-N
XLogP5.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (CID 127025760) is 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is CC(=O)N1C(C)(C)CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1(C)C.
What is the InChIKey of 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
The InChIKey is SJRKHPVPEYOAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-16(26)25-23(2,3)14-19(15-24(25,4)5)22(17-6-10-20(27)11-7-17)18-8-12-21(28)13-9-18/h6-13,27-28H,14-15H2,1-5H3.
What are the key properties of 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?
1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone has a molecular weight of 379.50 g/mol, XLogP of 5.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(4-hydroxyphenyl)methylidene]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 127025760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).