2-ethoxyethyl 3-ethylpiperidine-3-carboxylate

C12H23NO3 — CID 63137981

IUPAC2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
SMILESCCOCCOC(=O)C1(CC)CCCNC1
InChIInChI=1S/C12H23NO3/c1-3-12(6-5-7-13-10-12)11(14)16-9-8-15-4-2/h13H,3-10H2,1-2H3
InChIKeyFVXVYAIFORNFKZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.35
Rot. Bonds6

About 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate

2-ethoxyethyl 3-ethylpiperidine-3-carboxylate (PubChem CID 63137981) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
PubChem CID63137981
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
SMILESCCOCCOC(=O)C1(CC)CCCNC1
InChIInChI=1S/C12H23NO3/c1-3-12(6-5-7-13-10-12)11(14)16-9-8-15-4-2/h13H,3-10H2,1-2H3
InChIKeyFVXVYAIFORNFKZ-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
CID 104562939
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
CID 82824680
3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
CID 66225091
2-propoxyethyl 4-ethylpiperidine-4-carboxylate
CID 63686530
ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate
CID 99868054
4-methylpentyl 3-ethylpyrrolidine-3-carboxylate
CID 63144993
ethyl (3S)-3-(3-methylbut-2-enyl)piperidine-3-carboxylate
CID 129463338
N-(2-ethoxyethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 81059050
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate?
The IUPAC name of 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate (CID 63137981) is 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate?
The canonical SMILES for 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate is CCOCCOC(=O)C1(CC)CCCNC1.
What is the InChIKey of 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate?
The InChIKey is FVXVYAIFORNFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-12(6-5-7-13-10-12)11(14)16-9-8-15-4-2/h13H,3-10H2,1-2H3.
What are the key properties of 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate?
2-ethoxyethyl 3-ethylpiperidine-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-ethylpiperidine-3-carboxylate is sourced from PubChem (CID 63137981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).