1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine

C11H19NO — CID 176568308

IUPAC1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine
SMILESC=C1CCC(COC(=C)C)N(C)C1
InChIInChI=1S/C11H19NO/c1-9(2)13-8-11-6-5-10(3)7-12(11)4/h11H,1,3,5-8H2,2,4H3
InChIKeyPBOAYSQUQYTNGK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds3

About 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine

1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine (PubChem CID 176568308) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine
PubChem CID176568308
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine
SMILESC=C1CCC(COC(=C)C)N(C)C1
InChIInChI=1S/C11H19NO/c1-9(2)13-8-11-6-5-10(3)7-12(11)4/h11H,1,3,5-8H2,2,4H3
InChIKeyPBOAYSQUQYTNGK-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine 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 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine?
The IUPAC name of 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine (CID 176568308) is 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine.
What is the SMILES notation for 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine?
The canonical SMILES for 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine is C=C1CCC(COC(=C)C)N(C)C1.
What is the InChIKey of 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine?
The InChIKey is PBOAYSQUQYTNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)13-8-11-6-5-10(3)7-12(11)4/h11H,1,3,5-8H2,2,4H3.
What are the key properties of 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine?
1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-2-(prop-1-en-2-yloxymethyl)piperidine is sourced from PubChem (CID 176568308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).