3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine

C15H23NO3 — CID 62356017

IUPAC3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
SMILESCOc1cccc(OC)c1OCCC1CCCNC1
InChIInChI=1S/C15H23NO3/c1-17-13-6-3-7-14(18-2)15(13)19-10-8-12-5-4-9-16-11-12/h3,6-7,12,16H,4-5,8-11H2,1-2H3
InChIKeyPLJGAHMCTSWDTF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds6

About 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine

3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine (PubChem CID 62356017) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
PubChem CID62356017
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
SMILESCOc1cccc(OC)c1OCCC1CCCNC1
InChIInChI=1S/C15H23NO3/c1-17-13-6-3-7-14(18-2)15(13)19-10-8-12-5-4-9-16-11-12/h3,6-7,12,16H,4-5,8-11H2,1-2H3
InChIKeyPLJGAHMCTSWDTF-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine
CID 107391518
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 62356360
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
(3S)-3-[2-(3-bromo-2-methylphenoxy)ethyl]piperidine
CID 170321208
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine
CID 106540594
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
CID 83050877
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine (CID 62356017) is 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine is COc1cccc(OC)c1OCCC1CCCNC1.
What is the InChIKey of 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine?
The InChIKey is PLJGAHMCTSWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-13-6-3-7-14(18-2)15(13)19-10-8-12-5-4-9-16-11-12/h3,6-7,12,16H,4-5,8-11H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine?
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine has a molecular weight of 265.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 62356017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).