1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one

C14H19NO3 — CID 19794408

IUPAC1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
SMILESCOc1ccccc1OCCN1CCC(=O)CC1
InChIInChI=1S/C14H19NO3/c1-17-13-4-2-3-5-14(13)18-11-10-15-8-6-12(16)7-9-15/h2-5H,6-11H2,1H3
InChIKeyGAJBBYOJSIMXJJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.74
Rot. Bonds5

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

1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one (PubChem CID 19794408) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
PubChem CID19794408
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
SMILESCOc1ccccc1OCCN1CCC(=O)CC1
InChIInChI=1S/C14H19NO3/c1-17-13-4-2-3-5-14(13)18-11-10-15-8-6-12(16)7-9-15/h2-5H,6-11H2,1H3
InChIKeyGAJBBYOJSIMXJJ-UHFFFAOYSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
CID 39379363
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
2-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-ylidene]-N,N-dimethylethanamine
CID 19085398
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
CID 39357245
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 82684444
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-[2-(2-methoxyphenoxy)ethyl]-3-propylimidazol-2-one
CID 116624789
1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
CID 82353822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one (CID 19794408) is 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one is COc1ccccc1OCCN1CCC(=O)CC1.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one?
The InChIKey is GAJBBYOJSIMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-4-2-3-5-14(13)18-11-10-15-8-6-12(16)7-9-15/h2-5H,6-11H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one?
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one is sourced from PubChem (CID 19794408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).