1,3-dimethyl-2-phenylpiperidin-4-one

C13H17NO — CID 576547

IUPAC1,3-dimethyl-2-phenylpiperidin-4-one
SMILESCC1C(=O)CCN(C)C1c1ccccc1
InChIInChI=1S/C13H17NO/c1-10-12(15)8-9-14(2)13(10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeySTSXXDYXEZFGJE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.27
Rot. Bonds1

About 1,3-dimethyl-2-phenylpiperidin-4-one

1,3-dimethyl-2-phenylpiperidin-4-one (PubChem CID 576547) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1,3-dimethyl-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2-phenylpiperidin-4-one
PubChem CID576547
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1,3-dimethyl-2-phenylpiperidin-4-one
SMILESCC1C(=O)CCN(C)C1c1ccccc1
InChIInChI=1S/C13H17NO/c1-10-12(15)8-9-14(2)13(10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeySTSXXDYXEZFGJE-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-piperidone
CID 19220
N-Phenethyl-4-piperidinone
CID 96437
1-Benzyl-3-methyl-4-piperidone
CID 560965
1-Benzyl-4-(4-oxo-4-phenylbutyl)piperidine Hydrochloride
CID 14553361
1-Phenyl-1-(piperidin-2-yl)propan-2-one
CID 16102777
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
3-Methyl-2,6-diphenylpiperidin-4-one
CID 568924
1-(8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)-ethanone
CID 19006318
1-Benzyl-3,5-dimethylpiperidin-4-one
CID 22278920
3-Methyl-1-(2-phenylethyl)piperidin-4-one
CID 580922
1-Propanone, 2-methyl-1-phenyl-3-(1-piperidinyl)
CID 90769
3-Piperidinone, 1-(phenylmethyl)-
CID 96650

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-phenylpiperidin-4-one?
The IUPAC name of 1,3-dimethyl-2-phenylpiperidin-4-one (CID 576547) is 1,3-dimethyl-2-phenylpiperidin-4-one.
What is the SMILES notation for 1,3-dimethyl-2-phenylpiperidin-4-one?
The canonical SMILES for 1,3-dimethyl-2-phenylpiperidin-4-one is CC1C(=O)CCN(C)C1c1ccccc1.
What is the InChIKey of 1,3-dimethyl-2-phenylpiperidin-4-one?
The InChIKey is STSXXDYXEZFGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-12(15)8-9-14(2)13(10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-phenylpiperidin-4-one?
1,3-dimethyl-2-phenylpiperidin-4-one has a molecular weight of 203.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-phenylpiperidin-4-one is sourced from PubChem (CID 576547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).