4-methoxy-3-methylidenepiperidine

C7H13NO — CID 123272510

IUPAC4-methoxy-3-methylidenepiperidine
SMILESC=C1CNCCC1OC
InChIInChI=1S/C7H13NO/c1-6-5-8-4-3-7(6)9-2/h7-8H,1,3-5H2,2H3
InChIKeyVEMCCCCYLBHJPV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds1

About 4-methoxy-3-methylidenepiperidine

4-methoxy-3-methylidenepiperidine (PubChem CID 123272510) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methoxy-3-methylidenepiperidine.

Molecular Properties

Compound Name4-methoxy-3-methylidenepiperidine
PubChem CID123272510
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methoxy-3-methylidenepiperidine
SMILESC=C1CNCCC1OC
InChIInChI=1S/C7H13NO/c1-6-5-8-4-3-7(6)9-2/h7-8H,1,3-5H2,2H3
InChIKeyVEMCCCCYLBHJPV-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
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 4-methoxy-3-methylidenepiperidine?
The IUPAC name of 4-methoxy-3-methylidenepiperidine (CID 123272510) is 4-methoxy-3-methylidenepiperidine.
What is the SMILES notation for 4-methoxy-3-methylidenepiperidine?
The canonical SMILES for 4-methoxy-3-methylidenepiperidine is C=C1CNCCC1OC.
What is the InChIKey of 4-methoxy-3-methylidenepiperidine?
The InChIKey is VEMCCCCYLBHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-5-8-4-3-7(6)9-2/h7-8H,1,3-5H2,2H3.
What are the key properties of 4-methoxy-3-methylidenepiperidine?
4-methoxy-3-methylidenepiperidine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylidenepiperidine is sourced from PubChem (CID 123272510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).