5-benzyl-3,3-dimethylpiperidin-4-one

C14H19NO — CID 82393391

IUPAC5-benzyl-3,3-dimethylpiperidin-4-one
SMILESCC1(C)CNCC(Cc2ccccc2)C1=O
InChIInChI=1S/C14H19NO/c1-14(2)10-15-9-12(13(14)16)8-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKeyTUJIEBLKWTXQJR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.04
Rot. Bonds2

About 5-benzyl-3,3-dimethylpiperidin-4-one

5-benzyl-3,3-dimethylpiperidin-4-one (PubChem CID 82393391) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-benzyl-3,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name5-benzyl-3,3-dimethylpiperidin-4-one
PubChem CID82393391
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-benzyl-3,3-dimethylpiperidin-4-one
SMILESCC1(C)CNCC(Cc2ccccc2)C1=O
InChIInChI=1S/C14H19NO/c1-14(2)10-15-9-12(13(14)16)8-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKeyTUJIEBLKWTXQJR-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3,3-dimethylpiperidin-4-one?
The IUPAC name of 5-benzyl-3,3-dimethylpiperidin-4-one (CID 82393391) is 5-benzyl-3,3-dimethylpiperidin-4-one.
What is the SMILES notation for 5-benzyl-3,3-dimethylpiperidin-4-one?
The canonical SMILES for 5-benzyl-3,3-dimethylpiperidin-4-one is CC1(C)CNCC(Cc2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-3,3-dimethylpiperidin-4-one?
The InChIKey is TUJIEBLKWTXQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)10-15-9-12(13(14)16)8-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3.
What are the key properties of 5-benzyl-3,3-dimethylpiperidin-4-one?
5-benzyl-3,3-dimethylpiperidin-4-one has a molecular weight of 217.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3,3-dimethylpiperidin-4-one is sourced from PubChem (CID 82393391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).