cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine

C12H25CdNO2 — CID 176568430

IUPACcadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine
SMILESC=C1CCC(COC(C)C)N(C)C1.CO.[Cd]
InChIInChI=1S/C11H21NO.CH4O.Cd/c1-9(2)13-8-11-6-5-10(3)7-12(11)4;1-2;/h9,11H,3,5-8H2,1-2,4H3;2H,1H3;
InChIKeyWJRXGNUGBXLJSD-UHFFFAOYSA-N
MW327.75 g/mol
LogP1.67
Rot. Bonds3

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

cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine (PubChem CID 176568430) has the molecular formula C12H25CdNO2 and a molecular weight of 327.75 g/mol. Its IUPAC name is cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Namecadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine
PubChem CID176568430
Molecular FormulaC12H25CdNO2
Molecular Weight327.75 g/mol
Exact Mass329.09
IUPAC Namecadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine
SMILESC=C1CCC(COC(C)C)N(C)C1.CO.[Cd]
InChIInChI=1S/C11H21NO.CH4O.Cd/c1-9(2)13-8-11-6-5-10(3)7-12(11)4;1-2;/h9,11H,3,5-8H2,1-2,4H3;2H,1H3;
InChIKeyWJRXGNUGBXLJSD-UHFFFAOYSA-N
XLogP1.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine?
The IUPAC name of cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine (CID 176568430) is cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine is C=C1CCC(COC(C)C)N(C)C1.CO.[Cd].
What is the InChIKey of cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine?
The InChIKey is WJRXGNUGBXLJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.CH4O.Cd/c1-9(2)13-8-11-6-5-10(3)7-12(11)4;1-2;/h9,11H,3,5-8H2,1-2,4H3;2H,1H3;.
What are the key properties of cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine?
cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine has a molecular weight of 327.75 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;methanol;1-methyl-5-methylidene-2-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 176568430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).