(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone

C15H21NO2 — CID 62302314

IUPAC(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
SMILESCCOc1ccc(C)cc1C(=O)C1CCNCC1
InChIInChI=1S/C15H21NO2/c1-3-18-14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeyQNGQSWYDLVOJKP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds4

About (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone

(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone (PubChem CID 62302314) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
PubChem CID62302314
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
SMILESCCOc1ccc(C)cc1C(=O)C1CCNCC1
InChIInChI=1S/C15H21NO2/c1-3-18-14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeyQNGQSWYDLVOJKP-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone
CID 63497649
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone
CID 82553379
(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone
CID 82551237
(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone
CID 82552625
1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62799914
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
CID 65423286

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone (CID 62302314) is (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone is CCOc1ccc(C)cc1C(=O)C1CCNCC1.
What is the InChIKey of (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone?
The InChIKey is QNGQSWYDLVOJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3.
What are the key properties of (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone?
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 62302314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).