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

C11H16N2O — CID 89153826

IUPAC1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one
SMILESN[C@H]1C=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/t9-/m0/s1
InChIKeyLFOOTEYULMMAHP-VIFPVBQESA-N
MW192.26 g/mol
LogP0.82
Rot. Bonds1

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

1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one (PubChem CID 89153826) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one
PubChem CID89153826
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one
SMILESN[C@H]1C=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/t9-/m0/s1
InChIKeyLFOOTEYULMMAHP-VIFPVBQESA-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-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one?
The IUPAC name of 1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one (CID 89153826) is 1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one.
What is the SMILES notation for 1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one?
The canonical SMILES for 1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one is N[C@H]1C=CC(N2CCC(=O)CC2)=CC1.
What is the InChIKey of 1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one?
The InChIKey is LFOOTEYULMMAHP-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of 1-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one?
1-[(4R)-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-[(4R)-4-aminocyclohexa-1,5-dien-1-yl]piperidin-4-one is sourced from PubChem (CID 89153826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).