2,3-dimethoxy-5-methylidenepiperidine

C8H15NO2 — CID 123941739

IUPAC2,3-dimethoxy-5-methylidenepiperidine
SMILESC=C1CNC(OC)C(OC)C1
InChIInChI=1S/C8H15NO2/c1-6-4-7(10-2)8(11-3)9-5-6/h7-9H,1,4-5H2,2-3H3
InChIKeyBTTNGIDIKVEAAU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.52
Rot. Bonds2

About 2,3-dimethoxy-5-methylidenepiperidine

2,3-dimethoxy-5-methylidenepiperidine (PubChem CID 123941739) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methylidenepiperidine.

Molecular Properties

Compound Name2,3-dimethoxy-5-methylidenepiperidine
PubChem CID123941739
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,3-dimethoxy-5-methylidenepiperidine
SMILESC=C1CNC(OC)C(OC)C1
InChIInChI=1S/C8H15NO2/c1-6-4-7(10-2)8(11-3)9-5-6/h7-9H,1,4-5H2,2-3H3
InChIKeyBTTNGIDIKVEAAU-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-5-methylidenepiperidine
CID 90772001
7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine
CID 91240622
3-Ethoxy-5-methylidenepiperidine
CID 91444845
2-(2-Methylprop-2-enyl)morpholine
CID 91553690
3-Methoxy-2-methyl-5-methylidenepiperidine
CID 123429567
4-Ethenyl-2,3-dimethoxypiperidine
CID 174671886

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methylidenepiperidine?
The IUPAC name of 2,3-dimethoxy-5-methylidenepiperidine (CID 123941739) is 2,3-dimethoxy-5-methylidenepiperidine.
What is the SMILES notation for 2,3-dimethoxy-5-methylidenepiperidine?
The canonical SMILES for 2,3-dimethoxy-5-methylidenepiperidine is C=C1CNC(OC)C(OC)C1.
What is the InChIKey of 2,3-dimethoxy-5-methylidenepiperidine?
The InChIKey is BTTNGIDIKVEAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-7(10-2)8(11-3)9-5-6/h7-9H,1,4-5H2,2-3H3.
What are the key properties of 2,3-dimethoxy-5-methylidenepiperidine?
2,3-dimethoxy-5-methylidenepiperidine has a molecular weight of 157.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methylidenepiperidine is sourced from PubChem (CID 123941739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).