3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal

C17H25NO2 — CID 62277790

IUPAC3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal
SMILESCCOC1CCCN(CC(C)(C=O)c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-3-20-16-10-7-11-18(12-16)13-17(2,14-19)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3
InChIKeyCGWAPFLLWNOEIH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.64
Rot. Bonds6

About 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal

3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal (PubChem CID 62277790) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal
PubChem CID62277790
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal
SMILESCCOC1CCCN(CC(C)(C=O)c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-3-20-16-10-7-11-18(12-16)13-17(2,14-19)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3
InChIKeyCGWAPFLLWNOEIH-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.64
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

3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanal
CID 103538767
3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
CID 62277964
2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-phenylpropanal
CID 102966874
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
CID 62278646
1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
CID 64819801
2-(3-ethoxypiperidin-1-yl)benzaldehyde
CID 54990320
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
CID 63322069
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
CID 62275976

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal (CID 62277790) is 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal is CCOC1CCCN(CC(C)(C=O)c2ccccc2)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal?
The InChIKey is CGWAPFLLWNOEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-20-16-10-7-11-18(12-16)13-17(2,14-19)15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3.
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal?
3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal has a molecular weight of 275.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62277790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).