[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone

C16H23NO2 — CID 40537881

IUPAC[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C16H23NO2/c1-4-19-15-11-6-5-10-14(15)16(18)17-12(2)8-7-9-13(17)3/h5-6,10-13H,4,7-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyHSJUDPOOECGDOE-CHWSQXEVSA-N
MW261.37 g/mol
LogP3.49
Rot. Bonds3

About [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone

[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone (PubChem CID 40537881) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
PubChem CID40537881
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C16H23NO2/c1-4-19-15-11-6-5-10-14(15)16(18)17-12(2)8-7-9-13(17)3/h5-6,10-13H,4,7-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyHSJUDPOOECGDOE-CHWSQXEVSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone 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

(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 63909598
(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 976266
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(2-ethoxyphenyl)methanone
CID 80677476
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219428
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 72877584
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone (CID 40537881) is [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1[C@H](C)CCC[C@H]1C.
What is the InChIKey of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone?
The InChIKey is HSJUDPOOECGDOE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-19-15-11-6-5-10-14(15)16(18)17-12(2)8-7-9-13(17)3/h5-6,10-13H,4,7-9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone?
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 40537881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).