1-(2,2-dimethoxyethyl)-3-ethylpiperidine

C11H23NO2 — CID 66221675

IUPAC1-(2,2-dimethoxyethyl)-3-ethylpiperidine
SMILESCCC1CCCN(CC(OC)OC)C1
InChIInChI=1S/C11H23NO2/c1-4-10-6-5-7-12(8-10)9-11(13-2)14-3/h10-11H,4-9H2,1-3H3
InChIKeyIEZVAOZNXOANGP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.73
Rot. Bonds5

About 1-(2,2-dimethoxyethyl)-3-ethylpiperidine

1-(2,2-dimethoxyethyl)-3-ethylpiperidine (PubChem CID 66221675) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-ethylpiperidine.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-ethylpiperidine
PubChem CID66221675
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(2,2-dimethoxyethyl)-3-ethylpiperidine
SMILESCCC1CCCN(CC(OC)OC)C1
InChIInChI=1S/C11H23NO2/c1-4-10-6-5-7-12(8-10)9-11(13-2)14-3/h10-11H,4-9H2,1-3H3
InChIKeyIEZVAOZNXOANGP-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,2-dimethoxyethyl)-3-ethylpiperidine 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

(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
CID 99856888
1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
ethyl (3R)-1-(2,2-dimethoxyethyl)piperidine-3-carboxylate
CID 115538052
ethyl 4-(3-ethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82778322
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine
CID 66270128
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43584570
3-(3-ethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62434338

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-3-ethylpiperidine?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-ethylpiperidine (CID 66221675) is 1-(2,2-dimethoxyethyl)-3-ethylpiperidine.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-ethylpiperidine?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-ethylpiperidine is CCC1CCCN(CC(OC)OC)C1.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-ethylpiperidine?
The InChIKey is IEZVAOZNXOANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-10-6-5-7-12(8-10)9-11(13-2)14-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-3-ethylpiperidine?
1-(2,2-dimethoxyethyl)-3-ethylpiperidine has a molecular weight of 201.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-3-ethylpiperidine is sourced from PubChem (CID 66221675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).