1-(2-ethoxyethyl)-4,4-dimethylpiperidine

C11H23NO — CID 142902694

IUPAC1-(2-ethoxyethyl)-4,4-dimethylpiperidine
SMILESCCOCCN1CCC(C)(C)CC1
InChIInChI=1S/C11H23NO/c1-4-13-10-9-12-7-5-11(2,3)6-8-12/h4-10H2,1-3H3
InChIKeyLNGHECYUDMKLOQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-ethoxyethyl)-4,4-dimethylpiperidine

1-(2-ethoxyethyl)-4,4-dimethylpiperidine (PubChem CID 142902694) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4,4-dimethylpiperidine
PubChem CID142902694
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2-ethoxyethyl)-4,4-dimethylpiperidine
SMILESCCOCCN1CCC(C)(C)CC1
InChIInChI=1S/C11H23NO/c1-4-13-10-9-12-7-5-11(2,3)6-8-12/h4-10H2,1-3H3
InChIKeyLNGHECYUDMKLOQ-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
1-(2-ethoxyethyl)piperidine
CID 22622871
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone
CID 122212870
2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
CID 79478625
1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol
CID 103728740
1-hexyl-4,4-dimethylpiperidine
CID 18722930
4-(ethoxymethyl)-1-(2-methoxyethyl)-4-methylpiperidine
CID 90227649
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone
CID 169159063

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(2-ethoxyethyl)-4,4-dimethylpiperidine (CID 142902694) is 1-(2-ethoxyethyl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(2-ethoxyethyl)-4,4-dimethylpiperidine is CCOCCN1CCC(C)(C)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4,4-dimethylpiperidine?
The InChIKey is LNGHECYUDMKLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-13-10-9-12-7-5-11(2,3)6-8-12/h4-10H2,1-3H3.
What are the key properties of 1-(2-ethoxyethyl)-4,4-dimethylpiperidine?
1-(2-ethoxyethyl)-4,4-dimethylpiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4,4-dimethylpiperidine is sourced from PubChem (CID 142902694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).