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

C9H17NO — CID 176568281

IUPAC2-(methoxymethyl)-1-methyl-5-methylidenepiperidine
SMILESC=C1CCC(COC)N(C)C1
InChIInChI=1S/C9H17NO/c1-8-4-5-9(7-11-3)10(2)6-8/h9H,1,4-7H2,2-3H3
InChIKeyKXPJMIFGKGSOSB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds2

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

2-(methoxymethyl)-1-methyl-5-methylidenepiperidine (PubChem CID 176568281) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-methyl-5-methylidenepiperidine
PubChem CID176568281
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(methoxymethyl)-1-methyl-5-methylidenepiperidine
SMILESC=C1CCC(COC)N(C)C1
InChIInChI=1S/C9H17NO/c1-8-4-5-9(7-11-3)10(2)6-8/h9H,1,4-7H2,2-3H3
InChIKeyKXPJMIFGKGSOSB-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine?
The IUPAC name of 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine (CID 176568281) is 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine.
What is the SMILES notation for 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine?
The canonical SMILES for 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine is C=C1CCC(COC)N(C)C1.
What is the InChIKey of 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine?
The InChIKey is KXPJMIFGKGSOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-4-5-9(7-11-3)10(2)6-8/h9H,1,4-7H2,2-3H3.
What are the key properties of 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine?
2-(methoxymethyl)-1-methyl-5-methylidenepiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-methyl-5-methylidenepiperidine is sourced from PubChem (CID 176568281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).