1-(3,4-dimethylphenyl)piperidin-4-one

C13H17NO — CID 24690157

IUPAC1-(3,4-dimethylphenyl)piperidin-4-one
SMILESCc1ccc(N2CCC(=O)CC2)cc1C
InChIInChI=1S/C13H17NO/c1-10-3-4-12(9-11(10)2)14-7-5-13(15)6-8-14/h3-4,9H,5-8H2,1-2H3
InChIKeyWAPGNPINQHJRSS-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.47
Rot. Bonds1

About 1-(3,4-dimethylphenyl)piperidin-4-one

1-(3,4-dimethylphenyl)piperidin-4-one (PubChem CID 24690157) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)piperidin-4-one
PubChem CID24690157
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(3,4-dimethylphenyl)piperidin-4-one
SMILESCc1ccc(N2CCC(=O)CC2)cc1C
InChIInChI=1S/C13H17NO/c1-10-3-4-12(9-11(10)2)14-7-5-13(15)6-8-14/h3-4,9H,5-8H2,1-2H3
InChIKeyWAPGNPINQHJRSS-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)piperidin-4-one?
The IUPAC name of 1-(3,4-dimethylphenyl)piperidin-4-one (CID 24690157) is 1-(3,4-dimethylphenyl)piperidin-4-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)piperidin-4-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)piperidin-4-one is Cc1ccc(N2CCC(=O)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)piperidin-4-one?
The InChIKey is WAPGNPINQHJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-3-4-12(9-11(10)2)14-7-5-13(15)6-8-14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)piperidin-4-one?
1-(3,4-dimethylphenyl)piperidin-4-one has a molecular weight of 203.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)piperidin-4-one is sourced from PubChem (CID 24690157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).