1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine

C22H27NO2 — CID 121429936

IUPAC1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine
SMILESC=Cc1ccccc1OCCN1CCC(C)(Oc2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c1-3-19-9-7-8-12-21(19)24-18-17-23-15-13-22(2,14-16-23)25-20-10-5-4-6-11-20/h3-12H,1,13-18H2,2H3
InChIKeyVBOLQLFWRZPHKJ-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.64
Rot. Bonds7

About 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine

1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine (PubChem CID 121429936) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine.

Molecular Properties

Compound Name1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine
PubChem CID121429936
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine
SMILESC=Cc1ccccc1OCCN1CCC(C)(Oc2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c1-3-19-9-7-8-12-21(19)24-18-17-23-15-13-22(2,14-16-23)25-20-10-5-4-6-11-20/h3-12H,1,13-18H2,2H3
InChIKeyVBOLQLFWRZPHKJ-UHFFFAOYSA-N
XLogP4.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromoethoxy)-2-chlorobenzene;1-[2-(2-chlorophenoxy)ethyl]-4-methyl-4-phenoxypiperidine;4-methyl-4-phenoxypiperidine;hydrochloride
CID 158779869
2-[2-(dimethylamino)phenoxy]acetaldehyde;N,N-dimethyl-2-[2-(4-methyl-4-phenoxypiperidin-1-yl)ethoxy]aniline;4-methyl-4-phenoxypiperidine
CID 159823612
4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine
CID 121418729
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
CID 121418465
2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107872
3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine
CID 121430055
4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine
CID 121418386
1-(2-bromoethoxy)-2-fluorobenzene;4-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-4-methylpiperidine;4-(4-chlorophenoxy)-4-methylpiperidine;hydrochloride
CID 162238753
1-ethyl-3-methyl-3-phenoxypyrrolidine
CID 160635374
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
CID 121418378
4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-propan-2-yloxyphenoxy)ethyl]-4-methylpiperidine
CID 121418407

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine?
The IUPAC name of 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine (CID 121429936) is 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine.
What is the SMILES notation for 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine?
The canonical SMILES for 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine is C=Cc1ccccc1OCCN1CCC(C)(Oc2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine?
The InChIKey is VBOLQLFWRZPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-19-9-7-8-12-21(19)24-18-17-23-15-13-22(2,14-16-23)25-20-10-5-4-6-11-20/h3-12H,1,13-18H2,2H3.
What are the key properties of 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine?
1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine has a molecular weight of 337.46 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine is sourced from PubChem (CID 121429936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).