2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid

C16H23NO4 — CID 62689445

IUPAC2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
SMILESCOc1ccc(OCCN2CCCC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H23NO4/c1-20-14-4-6-15(7-5-14)21-10-9-17-8-2-3-13(12-17)11-16(18)19/h4-7,13H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyXANZYQIMAXKYRM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.26
Rot. Bonds7

About 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid

2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid (PubChem CID 62689445) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
PubChem CID62689445
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
SMILESCOc1ccc(OCCN2CCCC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H23NO4/c1-20-14-4-6-15(7-5-14)21-10-9-17-8-2-3-13(12-17)11-16(18)19/h4-7,13H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyXANZYQIMAXKYRM-UHFFFAOYSA-N
XLogP2.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347773
2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073
2-[1-[2-(2-methoxyphenoxy)ethyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953603
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
CID 62691306
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925518
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid (CID 62689445) is 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid is COc1ccc(OCCN2CCCC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid?
The InChIKey is XANZYQIMAXKYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-14-4-6-15(7-5-14)21-10-9-17-8-2-3-13(12-17)11-16(18)19/h4-7,13H,2-3,8-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid?
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).