(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone

C17H25NO2 — CID 82552625

IUPAC(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone
SMILESCCOc1cc(C)c(C(=O)C2CCNCC2)c(C)c1C
InChIInChI=1S/C17H25NO2/c1-5-20-15-10-11(2)16(13(4)12(15)3)17(19)14-6-8-18-9-7-14/h10,14,18H,5-9H2,1-4H3
InChIKeyRBMUQRIDWPUYCF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.19
Rot. Bonds4

About (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone

(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone (PubChem CID 82552625) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone
PubChem CID82552625
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone
SMILESCCOc1cc(C)c(C(=O)C2CCNCC2)c(C)c1C
InChIInChI=1S/C17H25NO2/c1-5-20-15-10-11(2)16(13(4)12(15)3)17(19)14-6-8-18-9-7-14/h10,14,18H,5-9H2,1-4H3
InChIKeyRBMUQRIDWPUYCF-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone 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

(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
CID 116917786
methyl 4-(4-ethoxy-2,3,6-trimethylphenyl)-4-oxobutanoate
CID 82552629
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82553125
(2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone
CID 82266269
(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
(2,4,5-trimethylphenyl) piperidine-4-carboxylate
CID 82118759
4-(4-ethoxy-2,5-dimethylphenyl)azepane
CID 82296026

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone (CID 82552625) is (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone is CCOc1cc(C)c(C(=O)C2CCNCC2)c(C)c1C.
What is the InChIKey of (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone?
The InChIKey is RBMUQRIDWPUYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-20-15-10-11(2)16(13(4)12(15)3)17(19)14-6-8-18-9-7-14/h10,14,18H,5-9H2,1-4H3.
What are the key properties of (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone?
(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone has a molecular weight of 275.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82552625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).