1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone

C18H27NO2 — CID 19784679

IUPAC1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone
SMILESCC(=O)N1C(C)(C)CC(O)C(Cc2ccccc2)C1(C)C
InChIInChI=1S/C18H27NO2/c1-13(20)19-17(2,3)12-16(21)15(18(19,4)5)11-14-9-7-6-8-10-14/h6-10,15-16,21H,11-12H2,1-5H3
InChIKeyIQNCWWSLPYLTLJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.02
Rot. Bonds2

About 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone

1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone (PubChem CID 19784679) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone
PubChem CID19784679
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone
SMILESCC(=O)N1C(C)(C)CC(O)C(Cc2ccccc2)C1(C)C
InChIInChI=1S/C18H27NO2/c1-13(20)19-17(2,3)12-16(21)15(18(19,4)5)11-14-9-7-6-8-10-14/h6-10,15-16,21H,11-12H2,1-5H3
InChIKeyIQNCWWSLPYLTLJ-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,3R,4S)-2-benzyl-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
CID 46842300
1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
CID 155126918
(6S,7aR)-6-benzyl-3,3,7a-trimethyl-6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 15362452
benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid
CID 118085296
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide
CID 108508905
1-benzyl-4-methyl-4-(trifluoromethyl)azetidine-2-carboxylic acid
CID 162605389
1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
CID 82248413
(4-benzyl-1,3,5-trihydroxycyclohexyl)-phenylmethanone
CID 70475095
(1-benzoyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate
CID 139992173
cis-(1S,3S)-1,2-dibenzylcyclobutane-1,3-dicarboxylic acid
CID 166791626
(E)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 87175148

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone (CID 19784679) is 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone is CC(=O)N1C(C)(C)CC(O)C(Cc2ccccc2)C1(C)C.
What is the InChIKey of 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone?
The InChIKey is IQNCWWSLPYLTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(20)19-17(2,3)12-16(21)15(18(19,4)5)11-14-9-7-6-8-10-14/h6-10,15-16,21H,11-12H2,1-5H3.
What are the key properties of 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone?
1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 19784679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).