(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone

C15H21NO3 — CID 82553003

IUPAC(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
SMILESCCOc1ccc(OC)c(C(=O)C2CCNCC2)c1
InChIInChI=1S/C15H21NO3/c1-3-19-12-4-5-14(18-2)13(10-12)15(17)11-6-8-16-9-7-11/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyVWBYTBHURPPZMI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds5

About (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone

(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone (PubChem CID 82553003) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
PubChem CID82553003
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
SMILESCCOc1ccc(OC)c(C(=O)C2CCNCC2)c1
InChIInChI=1S/C15H21NO3/c1-3-19-12-4-5-14(18-2)13(10-12)15(17)11-6-8-16-9-7-11/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyVWBYTBHURPPZMI-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
cyclopropyl-(4-ethoxy-2-ethylphenyl)methanone
CID 82267347
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
2,5-dimethoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79700189
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone
CID 82267627
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
3-bromo-1-(5-ethoxy-2-methoxyphenyl)propan-1-one
CID 134625052

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone (CID 82553003) is (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone is CCOc1ccc(OC)c(C(=O)C2CCNCC2)c1.
What is the InChIKey of (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone?
The InChIKey is VWBYTBHURPPZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-12-4-5-14(18-2)13(10-12)15(17)11-6-8-16-9-7-11/h4-5,10-11,16H,3,6-9H2,1-2H3.
What are the key properties of (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone?
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82553003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).