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

C14H19NO — CID 22278920

IUPAC1-benzyl-3,5-dimethylpiperidin-4-one
SMILESCC1CN(Cc2ccccc2)CC(C)C1=O
InChIInChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyKUUYMZATYJQLLZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.34
Rot. Bonds2

About 1-benzyl-3,5-dimethylpiperidin-4-one

1-benzyl-3,5-dimethylpiperidin-4-one (PubChem CID 22278920) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3,5-dimethylpiperidin-4-one
PubChem CID22278920
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-benzyl-3,5-dimethylpiperidin-4-one
SMILESCC1CN(Cc2ccccc2)CC(C)C1=O
InChIInChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyKUUYMZATYJQLLZ-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethylpiperidin-4-one?
The IUPAC name of 1-benzyl-3,5-dimethylpiperidin-4-one (CID 22278920) is 1-benzyl-3,5-dimethylpiperidin-4-one.
What is the SMILES notation for 1-benzyl-3,5-dimethylpiperidin-4-one?
The canonical SMILES for 1-benzyl-3,5-dimethylpiperidin-4-one is CC1CN(Cc2ccccc2)CC(C)C1=O.
What is the InChIKey of 1-benzyl-3,5-dimethylpiperidin-4-one?
The InChIKey is KUUYMZATYJQLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-3,5-dimethylpiperidin-4-one?
1-benzyl-3,5-dimethylpiperidin-4-one has a molecular weight of 217.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethylpiperidin-4-one is sourced from PubChem (CID 22278920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).