1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione

C15H19NO3 — CID 63311734

IUPAC1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2cccc(CO)c2)C(=O)C1
InChIInChI=1S/C15H19NO3/c1-15(2)7-13(18)16(14(19)8-15)9-11-4-3-5-12(6-11)10-17/h3-6,17H,7-10H2,1-2H3
InChIKeyYZUYSRMHLCYOAI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.85
Rot. Bonds3

About 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione

1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 63311734) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID63311734
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2cccc(CO)c2)C(=O)C1
InChIInChI=1S/C15H19NO3/c1-15(2)7-13(18)16(14(19)8-15)9-11-4-3-5-12(6-11)10-17/h3-6,17H,7-10H2,1-2H3
InChIKeyYZUYSRMHLCYOAI-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-3-hydroxymethylbenzamide
CID 155712
(3-((Piperidin-1-yl)methyl)phenyl)methanol
CID 7164645
N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 171934736
1-Benzyl-3-[hydroxy-(3-methylphenyl)methyl]piperidin-2-one
CID 76308778
1-[3-(4-Fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
CID 70062818
[2-Fluoro-3-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
CID 141289544
2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide
CID 151305447
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 169875401
(3R)-3-ethyl-1-[(1S)-2-hydroxy-1-phenylethyl]-3-prop-2-enylpiperidin-2-one
CID 16724807
1-Benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one
CID 132557357
N-[(E)-but-2-enyl]-N-[(R)-hydroxy(phenyl)methyl]hexanamide
CID 135050574
(R)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one
CID 139084209

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione (CID 63311734) is 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(Cc2cccc(CO)c2)C(=O)C1.
What is the InChIKey of 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is YZUYSRMHLCYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2)7-13(18)16(14(19)8-15)9-11-4-3-5-12(6-11)10-17/h3-6,17H,7-10H2,1-2H3.
What are the key properties of 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 261.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 63311734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).