1,3-dibenzyl-2,2-dimethylpiperidin-4-one

C21H25NO — CID 146657823

IUPAC1,3-dibenzyl-2,2-dimethylpiperidin-4-one
SMILESCC1(C)C(Cc2ccccc2)C(=O)CCN1Cc1ccccc1
InChIInChI=1S/C21H25NO/c1-21(2)19(15-17-9-5-3-6-10-17)20(23)13-14-22(21)16-18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyHHBHZFQNZTVAST-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.10
Rot. Bonds4

About 1,3-dibenzyl-2,2-dimethylpiperidin-4-one

1,3-dibenzyl-2,2-dimethylpiperidin-4-one (PubChem CID 146657823) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1,3-dibenzyl-2,2-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1,3-dibenzyl-2,2-dimethylpiperidin-4-one
PubChem CID146657823
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1,3-dibenzyl-2,2-dimethylpiperidin-4-one
SMILESCC1(C)C(Cc2ccccc2)C(=O)CCN1Cc1ccccc1
InChIInChI=1S/C21H25NO/c1-21(2)19(15-17-9-5-3-6-10-17)20(23)13-14-22(21)16-18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyHHBHZFQNZTVAST-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dibenzyl-2,2-dimethylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
1-benzyl-2,2-dimethylpiperidin-4-one
CID 4070912
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 83851242
2-benzyl-1,3,3-trimethylpiperidin-4-one
CID 21448643
(3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one
CID 102201797
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
1-benzyl-3-methylpiperidin-4-one
CID 560965
1-benzyl-3-tert-butyl-2,2-dimethylazetidine
CID 563397
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2,2-dimethylpiperidin-4-one?
The IUPAC name of 1,3-dibenzyl-2,2-dimethylpiperidin-4-one (CID 146657823) is 1,3-dibenzyl-2,2-dimethylpiperidin-4-one.
What is the SMILES notation for 1,3-dibenzyl-2,2-dimethylpiperidin-4-one?
The canonical SMILES for 1,3-dibenzyl-2,2-dimethylpiperidin-4-one is CC1(C)C(Cc2ccccc2)C(=O)CCN1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-2,2-dimethylpiperidin-4-one?
The InChIKey is HHBHZFQNZTVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-21(2)19(15-17-9-5-3-6-10-17)20(23)13-14-22(21)16-18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3.
What are the key properties of 1,3-dibenzyl-2,2-dimethylpiperidin-4-one?
1,3-dibenzyl-2,2-dimethylpiperidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2,2-dimethylpiperidin-4-one is sourced from PubChem (CID 146657823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).