2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid

C17H25NO3 — CID 63068600

IUPAC2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
SMILESCCC1CCCCN1CCOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-2-15-5-3-4-10-18(15)11-12-21-16-8-6-14(7-9-16)13-17(19)20/h6-9,15H,2-5,10-13H2,1H3,(H,19,20)
InChIKeyJBFOLASYOBUPKU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.96
Rot. Bonds7

About 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid

2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid (PubChem CID 63068600) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
PubChem CID63068600
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
SMILESCCC1CCCCN1CCOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-2-15-5-3-4-10-18(15)11-12-21-16-8-6-14(7-9-16)13-17(19)20/h6-9,15H,2-5,10-13H2,1H3,(H,19,20)
InChIKeyJBFOLASYOBUPKU-UHFFFAOYSA-N
XLogP2.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 142996981
4-[2-(2-ethylazepan-1-yl)ethoxy]benzonitrile
CID 115642546
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299833
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid
CID 62889995
2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid
CID 61010857
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylguanidine
CID 111567635
2-(4-butoxyphenyl)-1-cyclohexylethanone
CID 71053379

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid (CID 63068600) is 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid is CCC1CCCCN1CCOc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid?
The InChIKey is JBFOLASYOBUPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-15-5-3-4-10-18(15)11-12-21-16-8-6-14(7-9-16)13-17(19)20/h6-9,15H,2-5,10-13H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid?
2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 63068600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).