3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal

C12H23NO2 — CID 63972792

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
SMILESCOCC1CCN(CC(C)(C)C=O)CC1
InChIInChI=1S/C12H23NO2/c1-12(2,10-14)9-13-6-4-11(5-7-13)8-15-3/h10-11H,4-9H2,1-3H3
InChIKeyAMTHCZVMWHQBTJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds5

About 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal

3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal (PubChem CID 63972792) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
PubChem CID63972792
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
SMILESCOCC1CCN(CC(C)(C)C=O)CC1
InChIInChI=1S/C12H23NO2/c1-12(2,10-14)9-13-6-4-11(5-7-13)8-15-3/h10-11H,4-9H2,1-3H3
InChIKeyAMTHCZVMWHQBTJ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(methoxymethyl)piperidin-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-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 64791191
4-[4-(methoxymethyl)piperidin-1-yl]but-2-enoic acid
CID 76997434
3-[3-(2,2-dimethyl-3-oxopropyl)imidazolidin-1-yl]-2,2-dimethylpropanal
CID 175981178
ethyl 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
ethyl 2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 63972573
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine
CID 64583581
2,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propanal
CID 62275848
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal
CID 62278455

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal (CID 63972792) is 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal is COCC1CCN(CC(C)(C)C=O)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal?
The InChIKey is AMTHCZVMWHQBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,10-14)9-13-6-4-11(5-7-13)8-15-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal?
3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal has a molecular weight of 213.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal is sourced from PubChem (CID 63972792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).