1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one

C11H16N2O — CID 89256470

IUPAC1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one
SMILESNC1C=CC(N2CCC(=O)CC2)=CC1
InChIInChI=1S/C11H16N2O/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1,3-4,9H,2,5-8,12H2
InChIKeyLFOOTEYULMMAHP-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.82
Rot. Bonds1

About 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one

1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one (PubChem CID 89256470) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one
PubChem CID89256470
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one
SMILESNC1C=CC(N2CCC(=O)CC2)=CC1
InChIInChI=1S/C11H16N2O/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1,3-4,9H,2,5-8,12H2
InChIKeyLFOOTEYULMMAHP-UHFFFAOYSA-N
XLogP0.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one?
The IUPAC name of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one (CID 89256470) is 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one.
What is the SMILES notation for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one?
The canonical SMILES for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one is NC1C=CC(N2CCC(=O)CC2)=CC1.
What is the InChIKey of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one?
The InChIKey is LFOOTEYULMMAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1,3-4,9H,2,5-8,12H2.
What are the key properties of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one?
1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one has a molecular weight of 192.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-one is sourced from PubChem (CID 89256470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).