3,3,5-tris(prop-2-enyl)piperidin-4-one

C14H21NO — CID 69092834

IUPAC3,3,5-tris(prop-2-enyl)piperidin-4-one
SMILESC=CCC1CNCC(CC=C)(CC=C)C1=O
InChIInChI=1S/C14H21NO/c1-4-7-12-10-15-11-14(8-5-2,9-6-3)13(12)16/h4-6,12,15H,1-3,7-11H2
InChIKeyWVWKXFHLOOQZCB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.49
Rot. Bonds6

About 3,3,5-tris(prop-2-enyl)piperidin-4-one

3,3,5-tris(prop-2-enyl)piperidin-4-one (PubChem CID 69092834) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,3,5-tris(prop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name3,3,5-tris(prop-2-enyl)piperidin-4-one
PubChem CID69092834
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3,3,5-tris(prop-2-enyl)piperidin-4-one
SMILESC=CCC1CNCC(CC=C)(CC=C)C1=O
InChIInChI=1S/C14H21NO/c1-4-7-12-10-15-11-14(8-5-2,9-6-3)13(12)16/h4-6,12,15H,1-3,7-11H2
InChIKeyWVWKXFHLOOQZCB-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.49
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 3,3,5-tris(prop-2-enyl)piperidin-4-one?
The IUPAC name of 3,3,5-tris(prop-2-enyl)piperidin-4-one (CID 69092834) is 3,3,5-tris(prop-2-enyl)piperidin-4-one.
What is the SMILES notation for 3,3,5-tris(prop-2-enyl)piperidin-4-one?
The canonical SMILES for 3,3,5-tris(prop-2-enyl)piperidin-4-one is C=CCC1CNCC(CC=C)(CC=C)C1=O.
What is the InChIKey of 3,3,5-tris(prop-2-enyl)piperidin-4-one?
The InChIKey is WVWKXFHLOOQZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-12-10-15-11-14(8-5-2,9-6-3)13(12)16/h4-6,12,15H,1-3,7-11H2.
What are the key properties of 3,3,5-tris(prop-2-enyl)piperidin-4-one?
3,3,5-tris(prop-2-enyl)piperidin-4-one has a molecular weight of 219.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-tris(prop-2-enyl)piperidin-4-one is sourced from PubChem (CID 69092834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).