2-methoxy-3-methylidenepiperidine

C7H13NO — CID 91124723

IUPAC2-methoxy-3-methylidenepiperidine
SMILESC=C1CCCNC1OC
InChIInChI=1S/C7H13NO/c1-6-4-3-5-8-7(6)9-2/h7-8H,1,3-5H2,2H3
InChIKeyJHKNESOHJZKEKJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds1

About 2-methoxy-3-methylidenepiperidine

2-methoxy-3-methylidenepiperidine (PubChem CID 91124723) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methoxy-3-methylidenepiperidine.

Molecular Properties

Compound Name2-methoxy-3-methylidenepiperidine
PubChem CID91124723
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methoxy-3-methylidenepiperidine
SMILESC=C1CCCNC1OC
InChIInChI=1S/C7H13NO/c1-6-4-3-5-8-7(6)9-2/h7-8H,1,3-5H2,2H3
InChIKeyJHKNESOHJZKEKJ-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2-methoxy-5-methylidenepiperidine
CID 90934404
5-Fluoro-2-methoxy-3-methylidenepiperidine
CID 123297418
(2-Ethoxypiperidin-3-ylidene)methanone
CID 87544080
2,6-Dimethoxy-3-methylidenepiperidine
CID 90996312
2-Ethoxy-3-methylidenepiperidine
CID 91046560
2-Methoxy-3-methyl-5-methylidenepiperidine
CID 91145347
3-Methylidene-2-propoxypiperidine
CID 91408185
2-Methoxy-5-methylidenepiperidine
CID 91437785
4-Methoxy-3-methylidenepiperidine
CID 123272510
5-Chloro-2-methoxy-3-methylidenepiperidine
CID 123904209

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylidenepiperidine?
The IUPAC name of 2-methoxy-3-methylidenepiperidine (CID 91124723) is 2-methoxy-3-methylidenepiperidine.
What is the SMILES notation for 2-methoxy-3-methylidenepiperidine?
The canonical SMILES for 2-methoxy-3-methylidenepiperidine is C=C1CCCNC1OC.
What is the InChIKey of 2-methoxy-3-methylidenepiperidine?
The InChIKey is JHKNESOHJZKEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-4-3-5-8-7(6)9-2/h7-8H,1,3-5H2,2H3.
What are the key properties of 2-methoxy-3-methylidenepiperidine?
2-methoxy-3-methylidenepiperidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylidenepiperidine is sourced from PubChem (CID 91124723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).