(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone

C16H23NO2 — CID 110761639

IUPAC(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
SMILESCCOc1cc(C)c(C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C16H23NO2/c1-4-19-15-11-12(2)14(10-13(15)3)16(18)17-8-6-5-7-9-17/h10-11H,4-9H2,1-3H3
InChIKeyHZFCLZPSHNBMLN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.33
Rot. Bonds3

About (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone

(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone (PubChem CID 110761639) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
PubChem CID110761639
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
SMILESCCOc1cc(C)c(C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C16H23NO2/c1-4-19-15-11-12(2)14(10-13(15)3)16(18)17-8-6-5-7-9-17/h10-11H,4-9H2,1-3H3
InChIKeyHZFCLZPSHNBMLN-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808979
cyclobutyl-[4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809311
(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110761648
[4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110816655
4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812410
(4-ethoxy-2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761665
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110815160
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815159
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945
ethyl 4-(5-chloro-4-ethoxy-2-methylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808998
1-[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110815162
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone (CID 110761639) is (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone is CCOc1cc(C)c(C(=O)N2CCCCC2)cc1C.
What is the InChIKey of (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone?
The InChIKey is HZFCLZPSHNBMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-19-15-11-12(2)14(10-13(15)3)16(18)17-8-6-5-7-9-17/h10-11H,4-9H2,1-3H3.
What are the key properties of (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone?
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone has a molecular weight of 261.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110761639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).