2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine

C10H19NO — CID 176568671

IUPAC2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine
SMILESC=C1CCC(COCC)N(C)C1
InChIInChI=1S/C10H19NO/c1-4-12-8-10-6-5-9(2)7-11(10)3/h10H,2,4-8H2,1,3H3
InChIKeyHVFVRZWYDUXIHZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds3

About 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine

2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine (PubChem CID 176568671) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine
PubChem CID176568671
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine
SMILESC=C1CCC(COCC)N(C)C1
InChIInChI=1S/C10H19NO/c1-4-12-8-10-6-5-9(2)7-11(10)3/h10H,2,4-8H2,1,3H3
InChIKeyHVFVRZWYDUXIHZ-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine?
The IUPAC name of 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine (CID 176568671) is 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine.
What is the SMILES notation for 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine?
The canonical SMILES for 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine is C=C1CCC(COCC)N(C)C1.
What is the InChIKey of 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine?
The InChIKey is HVFVRZWYDUXIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-12-8-10-6-5-9(2)7-11(10)3/h10H,2,4-8H2,1,3H3.
What are the key properties of 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine?
2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-methyl-5-methylidenepiperidine is sourced from PubChem (CID 176568671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).