4-(methoxymethylidene)piperidine

C7H13NO — CID 19859122

IUPAC4-(methoxymethylidene)piperidine
SMILESCOC=C1CCNCC1
InChIInChI=1S/C7H13NO/c1-9-6-7-2-4-8-5-3-7/h6,8H,2-5H2,1H3
InChIKeyFUGYUVBCWUDMJV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds1

About 4-(methoxymethylidene)piperidine

4-(methoxymethylidene)piperidine (PubChem CID 19859122) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-(methoxymethylidene)piperidine.

Molecular Properties

Compound Name4-(methoxymethylidene)piperidine
PubChem CID19859122
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-(methoxymethylidene)piperidine
SMILESCOC=C1CCNCC1
InChIInChI=1S/C7H13NO/c1-9-6-7-2-4-8-5-3-7/h6,8H,2-5H2,1H3
InChIKeyFUGYUVBCWUDMJV-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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethylidene)piperidine?
The IUPAC name of 4-(methoxymethylidene)piperidine (CID 19859122) is 4-(methoxymethylidene)piperidine.
What is the SMILES notation for 4-(methoxymethylidene)piperidine?
The canonical SMILES for 4-(methoxymethylidene)piperidine is COC=C1CCNCC1.
What is the InChIKey of 4-(methoxymethylidene)piperidine?
The InChIKey is FUGYUVBCWUDMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-6-7-2-4-8-5-3-7/h6,8H,2-5H2,1H3.
What are the key properties of 4-(methoxymethylidene)piperidine?
4-(methoxymethylidene)piperidine 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 4-(methoxymethylidene)piperidine is sourced from PubChem (CID 19859122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).