1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione

C17H23NO2 — CID 171976446

IUPAC1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione
SMILESCC1(C)CCC(=O)N(c2ccccc2C(C)(C)C)C1=O
InChIInChI=1S/C17H23NO2/c1-16(2,3)12-8-6-7-9-13(12)18-14(19)10-11-17(4,5)15(18)20/h6-9H,10-11H2,1-5H3
InChIKeyPVHOUWRMKCXAPW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.66
Rot. Bonds1

About 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione

1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione (PubChem CID 171976446) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione
PubChem CID171976446
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione
SMILESCC1(C)CCC(=O)N(c2ccccc2C(C)(C)C)C1=O
InChIInChI=1S/C17H23NO2/c1-16(2,3)12-8-6-7-9-13(12)18-14(19)10-11-17(4,5)15(18)20/h6-9H,10-11H2,1-5H3
InChIKeyPVHOUWRMKCXAPW-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione (CID 171976446) is 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione is CC1(C)CCC(=O)N(c2ccccc2C(C)(C)C)C1=O.
What is the InChIKey of 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione?
The InChIKey is PVHOUWRMKCXAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2,3)12-8-6-7-9-13(12)18-14(19)10-11-17(4,5)15(18)20/h6-9H,10-11H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione?
1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione has a molecular weight of 273.38 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 171976446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).