2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine

C13H28N2O3 — CID 66178856

IUPAC2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCCOC1CCN(C(C)(CN)C(OC)OC)CC1
InChIInChI=1S/C13H28N2O3/c1-5-18-11-6-8-15(9-7-11)13(2,10-14)12(16-3)17-4/h11-12H,5-10,14H2,1-4H3
InChIKeyVGTXSAPZGPGFIP-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.82
Rot. Bonds7

About 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine

2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine (PubChem CID 66178856) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
PubChem CID66178856
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCCOC1CCN(C(C)(CN)C(OC)OC)CC1
InChIInChI=1S/C13H28N2O3/c1-5-18-11-6-8-15(9-7-11)13(2,10-14)12(16-3)17-4/h11-12H,5-10,14H2,1-4H3
InChIKeyVGTXSAPZGPGFIP-UHFFFAOYSA-N
XLogP0.82
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine 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

2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180437
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 115559360
2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180628
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221
3-(4-ethoxypiperidin-1-yl)pentan-1-amine
CID 61218236
2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 54985244
3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 104710860
2-(azetidin-1-yl)-2,3-dimethylbutan-1-amine
CID 84716627
4-(4-ethoxypiperidin-1-yl)pentan-2-amine
CID 64707608
3-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylpropan-1-amine
CID 62534739

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine (CID 66178856) is 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine is CCOC1CCN(C(C)(CN)C(OC)OC)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The InChIKey is VGTXSAPZGPGFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-18-11-6-8-15(9-7-11)13(2,10-14)12(16-3)17-4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 66178856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).