2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one

C14H25NO — CID 129252531

IUPAC2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-4-10-14(5-2,6-3)13(16)15-11-8-7-9-12-15/h4H,1,5-12H2,2-3H3
InChIKeyYHOMRCYKRSONLR-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.38
Rot. Bonds5

About 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one

2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one (PubChem CID 129252531) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one
PubChem CID129252531
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-4-10-14(5-2,6-3)13(16)15-11-8-7-9-12-15/h4H,1,5-12H2,2-3H3
InChIKeyYHOMRCYKRSONLR-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one?
The IUPAC name of 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one (CID 129252531) is 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one.
What is the SMILES notation for 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one?
The canonical SMILES for 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one is C=CCC(CC)(CC)C(=O)N1CCCCC1.
What is the InChIKey of 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one?
The InChIKey is YHOMRCYKRSONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-10-14(5-2,6-3)13(16)15-11-8-7-9-12-15/h4H,1,5-12H2,2-3H3.
What are the key properties of 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one?
2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-piperidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 129252531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).