4-piperidin-4-ylcyclohexa-2,4-dien-1-one

C11H15NO — CID 118207557

IUPAC4-piperidin-4-ylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C2CCNCC2)=CC1
InChIInChI=1S/C11H15NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-3,10,12H,4-8H2
InChIKeyHNWATCKHVWCALA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.44
Rot. Bonds1

About 4-piperidin-4-ylcyclohexa-2,4-dien-1-one

4-piperidin-4-ylcyclohexa-2,4-dien-1-one (PubChem CID 118207557) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-piperidin-4-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-piperidin-4-ylcyclohexa-2,4-dien-1-one
PubChem CID118207557
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-piperidin-4-ylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C2CCNCC2)=CC1
InChIInChI=1S/C11H15NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-3,10,12H,4-8H2
InChIKeyHNWATCKHVWCALA-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 4-piperidin-4-ylcyclohexa-2,4-dien-1-one (CID 118207557) is 4-piperidin-4-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-piperidin-4-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-piperidin-4-ylcyclohexa-2,4-dien-1-one is O=C1C=CC(C2CCNCC2)=CC1.
What is the InChIKey of 4-piperidin-4-ylcyclohexa-2,4-dien-1-one?
The InChIKey is HNWATCKHVWCALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-3,10,12H,4-8H2.
What are the key properties of 4-piperidin-4-ylcyclohexa-2,4-dien-1-one?
4-piperidin-4-ylcyclohexa-2,4-dien-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 118207557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).