2,6-dimethoxy-3-methylidenepiperidine

C8H15NO2 — CID 90996312

IUPAC2,6-dimethoxy-3-methylidenepiperidine
SMILESC=C1CCC(OC)NC1OC
InChIInChI=1S/C8H15NO2/c1-6-4-5-7(10-2)9-8(6)11-3/h7-9H,1,4-5H2,2-3H3
InChIKeyNBADSSKFJGOVSW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.87
Rot. Bonds2

About 2,6-dimethoxy-3-methylidenepiperidine

2,6-dimethoxy-3-methylidenepiperidine (PubChem CID 90996312) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,6-dimethoxy-3-methylidenepiperidine.

Molecular Properties

Compound Name2,6-dimethoxy-3-methylidenepiperidine
PubChem CID90996312
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,6-dimethoxy-3-methylidenepiperidine
SMILESC=C1CCC(OC)NC1OC
InChIInChI=1S/C8H15NO2/c1-6-4-5-7(10-2)9-8(6)11-3/h7-9H,1,4-5H2,2-3H3
InChIKeyNBADSSKFJGOVSW-UHFFFAOYSA-N
XLogP0.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.87
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 2,6-dimethoxy-3-methylidenepiperidine?
The IUPAC name of 2,6-dimethoxy-3-methylidenepiperidine (CID 90996312) is 2,6-dimethoxy-3-methylidenepiperidine.
What is the SMILES notation for 2,6-dimethoxy-3-methylidenepiperidine?
The canonical SMILES for 2,6-dimethoxy-3-methylidenepiperidine is C=C1CCC(OC)NC1OC.
What is the InChIKey of 2,6-dimethoxy-3-methylidenepiperidine?
The InChIKey is NBADSSKFJGOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-5-7(10-2)9-8(6)11-3/h7-9H,1,4-5H2,2-3H3.
What are the key properties of 2,6-dimethoxy-3-methylidenepiperidine?
2,6-dimethoxy-3-methylidenepiperidine has a molecular weight of 157.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-methylidenepiperidine is sourced from PubChem (CID 90996312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).