3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal

C12H23NO2 — CID 62277964

IUPAC3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
SMILESCCOC1CCCN(CC(C)(C)C=O)C1
InChIInChI=1S/C12H23NO2/c1-4-15-11-6-5-7-13(8-11)9-12(2,3)10-14/h10-11H,4-9H2,1-3H3
InChIKeyDFLCAQLKPPKNCA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds5

About 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal

3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal (PubChem CID 62277964) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
PubChem CID62277964
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
SMILESCCOC1CCCN(CC(C)(C)C=O)C1
InChIInChI=1S/C12H23NO2/c1-4-15-11-6-5-7-13(8-11)9-12(2,3)10-14/h10-11H,4-9H2,1-3H3
InChIKeyDFLCAQLKPPKNCA-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal 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

3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal
CID 62277790
1-[2-(bromomethyl)-2-ethylbutyl]-3-ethoxypiperidine
CID 65003831
3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62275779
2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62271911
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propan-1-ol
CID 64827605
N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
CID 62270798
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol
CID 64827430
N-[3-(3-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 55071185
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal (CID 62277964) is 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal is CCOC1CCCN(CC(C)(C)C=O)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal?
The InChIKey is DFLCAQLKPPKNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-15-11-6-5-7-13(8-11)9-12(2,3)10-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal?
3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal has a molecular weight of 213.32 g/mol, XLogP of 1.71, 5 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)-2,2-dimethylpropanal is sourced from PubChem (CID 62277964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).