1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one

C15H21NO3 — CID 114500510

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one
SMILESCOc1ccc(OCCN2CCC(=O)C(C)C2)cc1
InChIInChI=1S/C15H21NO3/c1-12-11-16(8-7-15(12)17)9-10-19-14-5-3-13(18-2)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyDTFBZVZMBKYVCE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one

1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one (PubChem CID 114500510) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one
PubChem CID114500510
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one
SMILESCOc1ccc(OCCN2CCC(=O)C(C)C2)cc1
InChIInChI=1S/C15H21NO3/c1-12-11-16(8-7-15(12)17)9-10-19-14-5-3-13(18-2)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyDTFBZVZMBKYVCE-UHFFFAOYSA-N
XLogP1.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 114501202
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121719
2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
CID 79670529
1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine
CID 145385091
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
(1S,5R)-6-(cyclopropylmethyl)-3-[2-(4-methoxyphenoxy)ethyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70747346
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one (CID 114500510) is 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one is COc1ccc(OCCN2CCC(=O)C(C)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one?
The InChIKey is DTFBZVZMBKYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-11-16(8-7-15(12)17)9-10-19-14-5-3-13(18-2)4-6-14/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one?
1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one has a molecular weight of 263.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 114500510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).