2-benzyl-1,3,3-trimethylpiperidin-4-one

C15H21NO — CID 21448643

IUPAC2-benzyl-1,3,3-trimethylpiperidin-4-one
SMILESCN1CCC(=O)C(C)(C)C1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2)13(16(3)10-9-14(15)17)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyFDVADMDOTRRMLU-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.53
Rot. Bonds2

About 2-benzyl-1,3,3-trimethylpiperidin-4-one

2-benzyl-1,3,3-trimethylpiperidin-4-one (PubChem CID 21448643) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-benzyl-1,3,3-trimethylpiperidin-4-one.

Molecular Properties

Compound Name2-benzyl-1,3,3-trimethylpiperidin-4-one
PubChem CID21448643
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-benzyl-1,3,3-trimethylpiperidin-4-one
SMILESCN1CCC(=O)C(C)(C)C1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2)13(16(3)10-9-14(15)17)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyFDVADMDOTRRMLU-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
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1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3,3-trimethylpiperidin-4-one?
The IUPAC name of 2-benzyl-1,3,3-trimethylpiperidin-4-one (CID 21448643) is 2-benzyl-1,3,3-trimethylpiperidin-4-one.
What is the SMILES notation for 2-benzyl-1,3,3-trimethylpiperidin-4-one?
The canonical SMILES for 2-benzyl-1,3,3-trimethylpiperidin-4-one is CN1CCC(=O)C(C)(C)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,3,3-trimethylpiperidin-4-one?
The InChIKey is FDVADMDOTRRMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)13(16(3)10-9-14(15)17)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3.
What are the key properties of 2-benzyl-1,3,3-trimethylpiperidin-4-one?
2-benzyl-1,3,3-trimethylpiperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3,3-trimethylpiperidin-4-one is sourced from PubChem (CID 21448643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).