4-(2-ethoxyprop-2-enyl)-3-methylpiperidine

C11H21NO — CID 145013242

IUPAC4-(2-ethoxyprop-2-enyl)-3-methylpiperidine
SMILESC=C(CC1CCNCC1C)OCC
InChIInChI=1S/C11H21NO/c1-4-13-10(3)7-11-5-6-12-8-9(11)2/h9,11-12H,3-8H2,1-2H3
InChIKeyGLHNCYWFIIUBLW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.17
Rot. Bonds4

About 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine

4-(2-ethoxyprop-2-enyl)-3-methylpiperidine (PubChem CID 145013242) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(2-ethoxyprop-2-enyl)-3-methylpiperidine
PubChem CID145013242
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(2-ethoxyprop-2-enyl)-3-methylpiperidine
SMILESC=C(CC1CCNCC1C)OCC
InChIInChI=1S/C11H21NO/c1-4-13-10(3)7-11-5-6-12-8-9(11)2/h9,11-12H,3-8H2,1-2H3
InChIKeyGLHNCYWFIIUBLW-UHFFFAOYSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine?
The IUPAC name of 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine (CID 145013242) is 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine.
What is the SMILES notation for 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine?
The canonical SMILES for 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine is C=C(CC1CCNCC1C)OCC.
What is the InChIKey of 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine?
The InChIKey is GLHNCYWFIIUBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-13-10(3)7-11-5-6-12-8-9(11)2/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine?
4-(2-ethoxyprop-2-enyl)-3-methylpiperidine has a molecular weight of 183.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyprop-2-enyl)-3-methylpiperidine is sourced from PubChem (CID 145013242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).