1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone

C17H25NO2 — CID 82053135

IUPAC1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
SMILESCCOc1cc(C)c(C(=O)CN2CCCCC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-4-20-15-10-13(2)17(14(3)11-15)16(19)12-18-8-6-5-7-9-18/h10-11H,4-9,12H2,1-3H3
InChIKeyWQNLVVPDOHAOGH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone

1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone (PubChem CID 82053135) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
PubChem CID82053135
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
SMILESCCOc1cc(C)c(C(=O)CN2CCCCC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-4-20-15-10-13(2)17(14(3)11-15)16(19)12-18-8-6-5-7-9-18/h10-11H,4-9,12H2,1-3H3
InChIKeyWQNLVVPDOHAOGH-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-(4-ethoxy-2,6-dimethylphenyl)propan-1-one
CID 82053134
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
1-(4-ethoxy-2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193304
2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
CID 170862115
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
CID 82053018
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone
CID 82053366
2-(1,4-diazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 62036993
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone (CID 82053135) is 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone is CCOc1cc(C)c(C(=O)CN2CCCCC2)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone?
The InChIKey is WQNLVVPDOHAOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-15-10-13(2)17(14(3)11-15)16(19)12-18-8-6-5-7-9-18/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone?
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone has a molecular weight of 275.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 82053135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).