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

C11H15NO — CID 173210401

IUPAC5-piperidin-4-ylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C(C2CCNCC2)C1
InChIInChI=1S/C11H15NO/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-3,9,12H,4-8H2
InChIKeyUWNPRYPTTWVNBU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.44
Rot. Bonds1

About 5-piperidin-4-ylcyclohexa-2,4-dien-1-one

5-piperidin-4-ylcyclohexa-2,4-dien-1-one (PubChem CID 173210401) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-piperidin-4-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5-piperidin-4-ylcyclohexa-2,4-dien-1-one
PubChem CID173210401
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-piperidin-4-ylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C(C2CCNCC2)C1
InChIInChI=1S/C11H15NO/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-3,9,12H,4-8H2
InChIKeyUWNPRYPTTWVNBU-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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Related Compounds

5-Oxo-hexahydroquinoline
CID 67278757
Hexahydroisoquinolin-6-one
CID 91183528
(4-Fluorocyclohexen-1-yl)-piperidin-4-ylmethanone
CID 68199885
(4,4-Difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone
CID 141328386
(4-Fluorocyclohepta-1,3,5-trien-1-yl)-piperidin-4-ylmethanone
CID 141942544
[5-Fluoro-4-(3-methylbutyl)cyclohexa-1,5-dien-1-yl]-piperidin-4-ylmethanone
CID 142247449
(3Z,5E)-5-fluoro-2-methylidene-1-piperidin-4-ylhepta-3,5-dien-1-one
CID 143923274
7-fluoro-3-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-4-one
CID 146551364
Hexahydro-8-isoquinolone
CID 129785867
2,2,2-Trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone
CID 150557876
2,3,4,4a,5,6a-hexahydro-1H-benzo[h]isoquinolin-6-one
CID 18361987
(4aS,10aS)-2,3,4,4a,5,6,10,10a-octahydro-1H-benzo[g]quinolin-7-one
CID 18601387

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 5-piperidin-4-ylcyclohexa-2,4-dien-1-one (CID 173210401) is 5-piperidin-4-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5-piperidin-4-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 5-piperidin-4-ylcyclohexa-2,4-dien-1-one is O=C1C=CC=C(C2CCNCC2)C1.
What is the InChIKey of 5-piperidin-4-ylcyclohexa-2,4-dien-1-one?
The InChIKey is UWNPRYPTTWVNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-3,9,12H,4-8H2.
What are the key properties of 5-piperidin-4-ylcyclohexa-2,4-dien-1-one?
5-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 5-piperidin-4-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 173210401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).