1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine

C11H21NO — CID 176568061

IUPAC1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine
SMILESC=C1CCC(COC(C)C)N(C)C1
InChIInChI=1S/C11H21NO/c1-9(2)13-8-11-6-5-10(3)7-12(11)4/h9,11H,3,5-8H2,1-2,4H3
InChIKeyHWYVZWMSVNXVNM-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds3

About 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine

1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine (PubChem CID 176568061) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine
PubChem CID176568061
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine
SMILESC=C1CCC(COC(C)C)N(C)C1
InChIInChI=1S/C11H21NO/c1-9(2)13-8-11-6-5-10(3)7-12(11)4/h9,11H,3,5-8H2,1-2,4H3
InChIKeyHWYVZWMSVNXVNM-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
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 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine (CID 176568061) is 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine is C=C1CCC(COC(C)C)N(C)C1.
What is the InChIKey of 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine?
The InChIKey is HWYVZWMSVNXVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)13-8-11-6-5-10(3)7-12(11)4/h9,11H,3,5-8H2,1-2,4H3.
What are the key properties of 1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine?
1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 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-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 176568061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).