3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one

C16H24N2O — CID 162351750

IUPAC3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one
SMILESCC1(C)CC(CNc2ccccc2)C(=O)NC1(C)C
InChIInChI=1S/C16H24N2O/c1-15(2)10-12(14(19)18-16(15,3)4)11-17-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,19)
InChIKeyCYVXTBFNQCKYLR-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.04
Rot. Bonds3

About 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one

3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one (PubChem CID 162351750) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one.

Molecular Properties

Compound Name3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one
PubChem CID162351750
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one
SMILESCC1(C)CC(CNc2ccccc2)C(=O)NC1(C)C
InChIInChI=1S/C16H24N2O/c1-15(2)10-12(14(19)18-16(15,3)4)11-17-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,19)
InChIKeyCYVXTBFNQCKYLR-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one?
The IUPAC name of 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one (CID 162351750) is 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one.
What is the SMILES notation for 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one?
The canonical SMILES for 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one is CC1(C)CC(CNc2ccccc2)C(=O)NC1(C)C.
What is the InChIKey of 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one?
The InChIKey is CYVXTBFNQCKYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2)10-12(14(19)18-16(15,3)4)11-17-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,19).
What are the key properties of 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one?
3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-5,5,6,6-tetramethylpiperidin-2-one is sourced from PubChem (CID 162351750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).