3-[(2-ethoxyphenoxy)methyl]piperidine

C14H21NO2 — CID 3064458

IUPAC3-[(2-ethoxyphenoxy)methyl]piperidine
SMILESCCOc1ccccc1OCC1CCCNC1
InChIInChI=1S/C14H21NO2/c1-2-16-13-7-3-4-8-14(13)17-11-12-6-5-9-15-10-12/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKeyUQUOUCIJKBLYMF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds5

About 3-[(2-ethoxyphenoxy)methyl]piperidine

3-[(2-ethoxyphenoxy)methyl]piperidine (PubChem CID 3064458) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2-ethoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-ethoxyphenoxy)methyl]piperidine
PubChem CID3064458
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[(2-ethoxyphenoxy)methyl]piperidine
SMILESCCOc1ccccc1OCC1CCCNC1
InChIInChI=1S/C14H21NO2/c1-2-16-13-7-3-4-8-14(13)17-11-12-6-5-9-15-10-12/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKeyUQUOUCIJKBLYMF-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenoxy)methyl]piperidine?
The IUPAC name of 3-[(2-ethoxyphenoxy)methyl]piperidine (CID 3064458) is 3-[(2-ethoxyphenoxy)methyl]piperidine.
What is the SMILES notation for 3-[(2-ethoxyphenoxy)methyl]piperidine?
The canonical SMILES for 3-[(2-ethoxyphenoxy)methyl]piperidine is CCOc1ccccc1OCC1CCCNC1.
What is the InChIKey of 3-[(2-ethoxyphenoxy)methyl]piperidine?
The InChIKey is UQUOUCIJKBLYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-16-13-7-3-4-8-14(13)17-11-12-6-5-9-15-10-12/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3.
What are the key properties of 3-[(2-ethoxyphenoxy)methyl]piperidine?
3-[(2-ethoxyphenoxy)methyl]piperidine has a molecular weight of 235.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 3064458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).