[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate

C12H23NO3 — CID 658420

IUPAC[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate
SMILESCCOCCN1CCC(OC(C)=O)C(C)C1
InChIInChI=1S/C12H23NO3/c1-4-15-8-7-13-6-5-12(10(2)9-13)16-11(3)14/h10,12H,4-9H2,1-3H3
InChIKeyMHUCZGOYYLQXQM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.30
Rot. Bonds5

About [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate

[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate (PubChem CID 658420) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate
PubChem CID658420
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate
SMILESCCOCCN1CCC(OC(C)=O)C(C)C1
InChIInChI=1S/C12H23NO3/c1-4-15-8-7-13-6-5-12(10(2)9-13)16-11(3)14/h10,12H,4-9H2,1-3H3
InChIKeyMHUCZGOYYLQXQM-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate?
The IUPAC name of [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate (CID 658420) is [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate.
What is the SMILES notation for [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate?
The canonical SMILES for [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate is CCOCCN1CCC(OC(C)=O)C(C)C1.
What is the InChIKey of [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate?
The InChIKey is MHUCZGOYYLQXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-15-8-7-13-6-5-12(10(2)9-13)16-11(3)14/h10,12H,4-9H2,1-3H3.
What are the key properties of [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate?
[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate has a molecular weight of 229.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate is sourced from PubChem (CID 658420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).