3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one

C16H23NO2 — CID 2828727

IUPAC3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)C(C(O)c2ccccc2)C(C)(C)N1
InChIInChI=1S/C16H23NO2/c1-15(2)10-12(18)13(16(3,4)17-15)14(19)11-8-6-5-7-9-11/h5-9,13-14,17,19H,10H2,1-4H3
InChIKeyWPGPZWDTKXPQEE-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.46
Rot. Bonds2

About 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one

3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 2828727) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID2828727
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)C(C(O)c2ccccc2)C(C)(C)N1
InChIInChI=1S/C16H23NO2/c1-15(2)10-12(18)13(16(3,4)17-15)14(19)11-8-6-5-7-9-11/h5-9,13-14,17,19H,10H2,1-4H3
InChIKeyWPGPZWDTKXPQEE-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one (CID 2828727) is 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)C(C(O)c2ccccc2)C(C)(C)N1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is WPGPZWDTKXPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2)10-12(18)13(16(3,4)17-15)14(19)11-8-6-5-7-9-11/h5-9,13-14,17,19H,10H2,1-4H3.
What are the key properties of 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one?
3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 261.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 2828727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).