2,3,4-trimethylidenepiperidine

C8H11N — CID 19087571

IUPAC2,3,4-trimethylidenepiperidine
SMILESC=C1CCNC(=C)C1=C
InChIInChI=1S/C8H11N/c1-6-4-5-9-8(3)7(6)2/h9H,1-5H2
InChIKeyFHMLOHIJGMZMPH-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.61
Rot. Bonds

About 2,3,4-trimethylidenepiperidine

2,3,4-trimethylidenepiperidine (PubChem CID 19087571) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2,3,4-trimethylidenepiperidine.

Molecular Properties

Compound Name2,3,4-trimethylidenepiperidine
PubChem CID19087571
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2,3,4-trimethylidenepiperidine
SMILESC=C1CCNC(=C)C1=C
InChIInChI=1S/C8H11N/c1-6-4-5-9-8(3)7(6)2/h9H,1-5H2
InChIKeyFHMLOHIJGMZMPH-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylidenepiperidine?
The IUPAC name of 2,3,4-trimethylidenepiperidine (CID 19087571) is 2,3,4-trimethylidenepiperidine.
What is the SMILES notation for 2,3,4-trimethylidenepiperidine?
The canonical SMILES for 2,3,4-trimethylidenepiperidine is C=C1CCNC(=C)C1=C.
What is the InChIKey of 2,3,4-trimethylidenepiperidine?
The InChIKey is FHMLOHIJGMZMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-5-9-8(3)7(6)2/h9H,1-5H2.
What are the key properties of 2,3,4-trimethylidenepiperidine?
2,3,4-trimethylidenepiperidine has a molecular weight of 121.18 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylidenepiperidine is sourced from PubChem (CID 19087571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).