1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one

C12H18N2O — CID 70892500

IUPAC1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one
SMILESCC1(N)C=CC(N2CCCCC2=O)=CC1
InChIInChI=1S/C12H18N2O/c1-12(13)7-5-10(6-8-12)14-9-3-2-4-11(14)15/h5-7H,2-4,8-9,13H2,1H3
InChIKeyWBAMYUOPORIHDP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.56
Rot. Bonds1

About 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one

1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one (PubChem CID 70892500) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one
PubChem CID70892500
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one
SMILESCC1(N)C=CC(N2CCCCC2=O)=CC1
InChIInChI=1S/C12H18N2O/c1-12(13)7-5-10(6-8-12)14-9-3-2-4-11(14)15/h5-7H,2-4,8-9,13H2,1H3
InChIKeyWBAMYUOPORIHDP-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one?
The IUPAC name of 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one (CID 70892500) is 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one.
What is the SMILES notation for 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one?
The canonical SMILES for 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one is CC1(N)C=CC(N2CCCCC2=O)=CC1.
What is the InChIKey of 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one?
The InChIKey is WBAMYUOPORIHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(13)7-5-10(6-8-12)14-9-3-2-4-11(14)15/h5-7H,2-4,8-9,13H2,1H3.
What are the key properties of 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one?
1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)piperidin-2-one is sourced from PubChem (CID 70892500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).