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

C12H24ClNO3 — CID 6602578

IUPAC[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride
SMILESCCOCCN1CCC(OC(C)=O)C(C)C1.Cl
InChIInChI=1S/C12H23NO3.ClH/c1-4-15-8-7-13-6-5-12(10(2)9-13)16-11(3)14;/h10,12H,4-9H2,1-3H3;1H
InChIKeyQZVVRVDIRFJEMT-UHFFFAOYSA-N
MW265.78 g/mol
LogP1.72
Rot. Bonds5

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

[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride (PubChem CID 6602578) has the molecular formula C12H24ClNO3 and a molecular weight of 265.78 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride
PubChem CID6602578
Molecular FormulaC12H24ClNO3
Molecular Weight265.78 g/mol
Exact Mass265.14
IUPAC Name[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride
SMILESCCOCCN1CCC(OC(C)=O)C(C)C1.Cl
InChIInChI=1S/C12H23NO3.ClH/c1-4-15-8-7-13-6-5-12(10(2)9-13)16-11(3)14;/h10,12H,4-9H2,1-3H3;1H
InChIKeyQZVVRVDIRFJEMT-UHFFFAOYSA-N
XLogP1.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 51.72
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;hydrochloride?
The IUPAC name of [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride (CID 6602578) is [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride.
What is the SMILES notation for [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride?
The canonical SMILES for [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride is CCOCCN1CCC(OC(C)=O)C(C)C1.Cl.
What is the InChIKey of [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride?
The InChIKey is QZVVRVDIRFJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.ClH/c1-4-15-8-7-13-6-5-12(10(2)9-13)16-11(3)14;/h10,12H,4-9H2,1-3H3;1H.
What are the key properties of [1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride?
[1-(2-ethoxyethyl)-3-methylpiperidin-4-yl] acetate;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 1.72, 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;hydrochloride is sourced from PubChem (CID 6602578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).