(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone

C15H22N2O2 — CID 63909598

IUPAC(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1C(C)CNCC1C
InChIInChI=1S/C15H22N2O2/c1-4-19-14-8-6-5-7-13(14)15(18)17-11(2)9-16-10-12(17)3/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyAQWSFXUTSRFQGT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds3

About (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone

(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 63909598) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID63909598
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1C(C)CNCC1C
InChIInChI=1S/C15H22N2O2/c1-4-19-14-8-6-5-7-13(14)15(18)17-11(2)9-16-10-12(17)3/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyAQWSFXUTSRFQGT-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(2-ethoxyphenyl)methanone
CID 80677476
(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79217052
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 59376260
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219428
(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930139

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone (CID 63909598) is (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1C(C)CNCC1C.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is AQWSFXUTSRFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-14-8-6-5-7-13(14)15(18)17-11(2)9-16-10-12(17)3/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 63909598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).