3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde

C15H19NO3 — CID 97179232

IUPAC3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
SMILESCc1cccc(C=O)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C15H19NO3/c1-12-6-5-7-13(10-17)15(12)19-11-14(18)16-8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyWBNDWSYMDYFSOP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.20
Rot. Bonds4

About 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde

3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde (PubChem CID 97179232) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
PubChem CID97179232
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
SMILESCc1cccc(C=O)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C15H19NO3/c1-12-6-5-7-13(10-17)15(12)19-11-14(18)16-8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyWBNDWSYMDYFSOP-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 115961858
5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 112620584
ethyl 2-(2-formyl-6-methylphenoxy)acetate
CID 57137176
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 115958026
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156670
3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 112611706
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde?
The IUPAC name of 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde (CID 97179232) is 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde is Cc1cccc(C=O)c1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde?
The InChIKey is WBNDWSYMDYFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12-6-5-7-13(10-17)15(12)19-11-14(18)16-8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde?
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde has a molecular weight of 261.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 97179232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).