2-(4-ethylpiperidin-1-yl)ethyl ethanimidate

C11H22N2O — CID 163909501

IUPAC2-(4-ethylpiperidin-1-yl)ethyl ethanimidate
SMILES[H]/N=C(\C)OCCN1CCC(CC)CC1
InChIInChI=1S/C11H22N2O/c1-3-11-4-6-13(7-5-11)8-9-14-10(2)12/h11-12H,3-9H2,1-2H3/b12-10+
InChIKeyQQWGFAAATOLPJE-ZRDIBKRKSA-N
MW198.31 g/mol
LogP2.12
Rot. Bonds4

About 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate

2-(4-ethylpiperidin-1-yl)ethyl ethanimidate (PubChem CID 163909501) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)ethyl ethanimidate
PubChem CID163909501
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(4-ethylpiperidin-1-yl)ethyl ethanimidate
SMILES[H]/N=C(\C)OCCN1CCC(CC)CC1
InChIInChI=1S/C11H22N2O/c1-3-11-4-6-13(7-5-11)8-9-14-10(2)12/h11-12H,3-9H2,1-2H3/b12-10+
InChIKeyQQWGFAAATOLPJE-ZRDIBKRKSA-N
XLogP2.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate (CID 163909501) is 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate is [H]/N=C(\C)OCCN1CCC(CC)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate?
The InChIKey is QQWGFAAATOLPJE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-11-4-6-13(7-5-11)8-9-14-10(2)12/h11-12H,3-9H2,1-2H3/b12-10+.
What are the key properties of 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate?
2-(4-ethylpiperidin-1-yl)ethyl ethanimidate has a molecular weight of 198.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)ethyl ethanimidate is sourced from PubChem (CID 163909501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).