1-(2-ethoxyphenyl)-2-methylpiperidin-4-one

C14H19NO2 — CID 54975575

IUPAC1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
SMILESCCOc1ccccc1N1CCC(=O)CC1C
InChIInChI=1S/C14H19NO2/c1-3-17-14-7-5-4-6-13(14)15-9-8-12(16)10-11(15)2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyFBPDCLRPBCWZKB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one

1-(2-ethoxyphenyl)-2-methylpiperidin-4-one (PubChem CID 54975575) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
PubChem CID54975575
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
SMILESCCOc1ccccc1N1CCC(=O)CC1C
InChIInChI=1S/C14H19NO2/c1-3-17-14-7-5-4-6-13(14)15-9-8-12(16)10-11(15)2/h4-7,11H,3,8-10H2,1-2H3
InChIKeyFBPDCLRPBCWZKB-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one 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

1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one
CID 54975439
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
(3aR,7aR)-2-(2-ethoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 821551
(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1182440
9-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713932
2-methyl-1-(2,4,5-trifluorophenyl)piperidin-4-one
CID 62816093
(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675917
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
CID 64931392
methyl 1-(2-ethoxyphenyl)aziridine-2-carboxylate
CID 117009920
1-(2-ethoxyphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64957042
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
1-(2,5-diethoxyphenyl)piperidin-4-one
CID 24711374

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one (CID 54975575) is 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one is CCOc1ccccc1N1CCC(=O)CC1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one?
The InChIKey is FBPDCLRPBCWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14-7-5-4-6-13(14)15-9-8-12(16)10-11(15)2/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one?
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-methylpiperidin-4-one is sourced from PubChem (CID 54975575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).