3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine

C20H24ClNO2 — CID 121418378

IUPAC3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
SMILESCC1(Oc2ccccc2Cl)CCCN(CCOc2ccccc2)C1
InChIInChI=1S/C20H24ClNO2/c1-20(24-19-11-6-5-10-18(19)21)12-7-13-22(16-20)14-15-23-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
InChIKeyJOBFCNJEJQJVIB-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.65
Rot. Bonds6

About 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine

3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine (PubChem CID 121418378) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
PubChem CID121418378
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
SMILESCC1(Oc2ccccc2Cl)CCCN(CCOc2ccccc2)C1
InChIInChI=1S/C20H24ClNO2/c1-20(24-19-11-6-5-10-18(19)21)12-7-13-22(16-20)14-15-23-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
InChIKeyJOBFCNJEJQJVIB-UHFFFAOYSA-N
XLogP4.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenoxy)-1-[2-(4-fluorophenoxy)ethyl]-4-methylpiperidine
CID 121418729
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107872
1-[2-(2-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136958
ethane;3-methoxy-4-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107874
1-(2-bromoethoxy)-2-chlorobenzene;1-[2-(2-chlorophenoxy)ethyl]-4-methyl-4-phenoxypiperidine;4-methyl-4-phenoxypiperidine;hydrochloride
CID 158779869
2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102850259
ethane;3-(2-methoxy-4-nitrophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 145108015
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]benzonitrile
CID 107392613
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401
[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 107394501

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine?
The IUPAC name of 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine (CID 121418378) is 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine.
What is the SMILES notation for 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine?
The canonical SMILES for 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine is CC1(Oc2ccccc2Cl)CCCN(CCOc2ccccc2)C1.
What is the InChIKey of 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine?
The InChIKey is JOBFCNJEJQJVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-20(24-19-11-6-5-10-18(19)21)12-7-13-22(16-20)14-15-23-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine?
3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine has a molecular weight of 345.87 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine is sourced from PubChem (CID 121418378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).