1-benzoyl-2-tert-butylpiperidin-4-one

C16H21NO2 — CID 131871850

IUPAC1-benzoyl-2-tert-butylpiperidin-4-one
SMILESCC(C)(C)C1CC(=O)CCN1C(=O)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2,3)14-11-13(18)9-10-17(14)15(19)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKeyNVINUFQDRZTIOD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.91
Rot. Bonds1

About 1-benzoyl-2-tert-butylpiperidin-4-one

1-benzoyl-2-tert-butylpiperidin-4-one (PubChem CID 131871850) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-benzoyl-2-tert-butylpiperidin-4-one.

Molecular Properties

Compound Name1-benzoyl-2-tert-butylpiperidin-4-one
PubChem CID131871850
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-benzoyl-2-tert-butylpiperidin-4-one
SMILESCC(C)(C)C1CC(=O)CCN1C(=O)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2,3)14-11-13(18)9-10-17(14)15(19)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKeyNVINUFQDRZTIOD-UHFFFAOYSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-tert-butylpiperidin-4-one?
The IUPAC name of 1-benzoyl-2-tert-butylpiperidin-4-one (CID 131871850) is 1-benzoyl-2-tert-butylpiperidin-4-one.
What is the SMILES notation for 1-benzoyl-2-tert-butylpiperidin-4-one?
The canonical SMILES for 1-benzoyl-2-tert-butylpiperidin-4-one is CC(C)(C)C1CC(=O)CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2-tert-butylpiperidin-4-one?
The InChIKey is NVINUFQDRZTIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,3)14-11-13(18)9-10-17(14)15(19)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3.
What are the key properties of 1-benzoyl-2-tert-butylpiperidin-4-one?
1-benzoyl-2-tert-butylpiperidin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-tert-butylpiperidin-4-one is sourced from PubChem (CID 131871850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).