(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone

C15H21NO2 — CID 82295897

IUPAC(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
SMILESCCOc1ccc(C(=O)C2CCNCC2)cc1C
InChIInChI=1S/C15H21NO2/c1-3-18-14-5-4-13(10-11(14)2)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeySDZDFAOFYLEVCN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds4

About (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone

(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone (PubChem CID 82295897) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
PubChem CID82295897
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
SMILESCCOc1ccc(C(=O)C2CCNCC2)cc1C
InChIInChI=1S/C15H21NO2/c1-3-18-14-5-4-13(10-11(14)2)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeySDZDFAOFYLEVCN-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

Analyze (4-ethoxy-3-methylphenyl)-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

(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
(4-ethoxy-3-methylphenyl)-(oxiran-2-yl)methanone
CID 116826439
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
2-(4-ethoxy-3-methylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918521
(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone
CID 82552625
(4-bromo-3-methylphenyl)-piperidin-4-ylmethanone
CID 82553719
(4-aminocyclohexyl)-(3,4-diethoxyphenyl)methanone
CID 116557438
(3-tert-butyl-4-ethoxyphenyl)-cyclopropylmethanone
CID 82263872
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone (CID 82295897) is (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone is CCOc1ccc(C(=O)C2CCNCC2)cc1C.
What is the InChIKey of (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone?
The InChIKey is SDZDFAOFYLEVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-14-5-4-13(10-11(14)2)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 (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone?
(4-ethoxy-3-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 (4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82295897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).