2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone

C16H23NO — CID 110766864

IUPAC2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(C)C2)cc1C
InChIInChI=1S/C16H23NO/c1-12-5-4-8-17(11-12)16(18)10-15-7-6-13(2)14(3)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChIKeyDYYGUBYISQTZIB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.10
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone

2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 110766864) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID110766864
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(C)C2)cc1C
InChIInChI=1S/C16H23NO/c1-12-5-4-8-17(11-12)16(18)10-15-7-6-13(2)14(3)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChIKeyDYYGUBYISQTZIB-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(3,4-dimethylphenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509955
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
2-(3,4-dimethylphenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 63107174
ethyl 4-[(3S)-1-[2-(3,4-dimethylphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 95713864
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 115277195
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone (CID 110766864) is 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone is Cc1ccc(CC(=O)N2CCCC(C)C2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is DYYGUBYISQTZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-5-4-8-17(11-12)16(18)10-15-7-6-13(2)14(3)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110766864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).