(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone

C15H21NO2 — CID 82498560

IUPAC(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1CCCCN1
InChIInChI=1S/C15H21NO2/c1-10-8-11(2)14(13(9-10)18-3)15(17)12-6-4-5-7-16-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeyIMWJYLFKXCCFNE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone

(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone (PubChem CID 82498560) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
PubChem CID82498560
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1CCCCN1
InChIInChI=1S/C15H21NO2/c1-10-8-11(2)14(13(9-10)18-3)15(17)12-6-4-5-7-16-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeyIMWJYLFKXCCFNE-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290165
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
2-cyclohexyl-2-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106680136
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone (CID 82498560) is (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone is COc1cc(C)cc(C)c1C(=O)C1CCCCN1.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone?
The InChIKey is IMWJYLFKXCCFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-8-11(2)14(13(9-10)18-3)15(17)12-6-4-5-7-16-12/h8-9,12,16H,4-7H2,1-3H3.
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone?
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone is sourced from PubChem (CID 82498560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).