1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one

C15H21NO4 — CID 39379363

IUPAC1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
SMILESCOc1cccc(OC)c1OCCN1CCC(=O)CC1
InChIInChI=1S/C15H21NO4/c1-18-13-4-3-5-14(19-2)15(13)20-11-10-16-8-6-12(17)7-9-16/h3-5H,6-11H2,1-2H3
InChIKeyLCMHRSONWWTTDL-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one

1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one (PubChem CID 39379363) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
PubChem CID39379363
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
SMILESCOc1cccc(OC)c1OCCN1CCC(=O)CC1
InChIInChI=1S/C15H21NO4/c1-18-13-4-3-5-14(19-2)15(13)20-11-10-16-8-6-12(17)7-9-16/h3-5H,6-11H2,1-2H3
InChIKeyLCMHRSONWWTTDL-UHFFFAOYSA-N
XLogP1.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22684728
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzenecarbothioamide
CID 22687601
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
CID 39357245
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
CID 135155342
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one?
The IUPAC name of 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one (CID 39379363) is 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one is COc1cccc(OC)c1OCCN1CCC(=O)CC1.
What is the InChIKey of 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one?
The InChIKey is LCMHRSONWWTTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-13-4-3-5-14(19-2)15(13)20-11-10-16-8-6-12(17)7-9-16/h3-5H,6-11H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one?
1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one has a molecular weight of 279.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one is sourced from PubChem (CID 39379363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).