2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid

C16H23NO4 — CID 117239836

IUPAC2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
SMILESCCN1CCC(C(COc2ccc(O)cc2)C(=O)O)CC1
InChIInChI=1S/C16H23NO4/c1-2-17-9-7-12(8-10-17)15(16(19)20)11-21-14-5-3-13(18)4-6-14/h3-6,12,15,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyQXZQZZWGNWDFAI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.20
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid

2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid (PubChem CID 117239836) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
PubChem CID117239836
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
SMILESCCN1CCC(C(COc2ccc(O)cc2)C(=O)O)CC1
InChIInChI=1S/C16H23NO4/c1-2-17-9-7-12(8-10-17)15(16(19)20)11-21-14-5-3-13(18)4-6-14/h3-6,12,15,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyQXZQZZWGNWDFAI-UHFFFAOYSA-N
XLogP2.20
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid
CID 117238296
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
CID 117239780
4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
CID 117239428
2-(1,1-dioxothian-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239796
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239808
methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate
CID 117239792
3-(4-chlorophenoxy)-2-(oxan-4-yl)propanoic acid
CID 117239787
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid
CID 117239526
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
2-(1,1-dioxothian-4-yl)-3-phenoxypropanoic acid
CID 117239668

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid (CID 117239836) is 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid is CCN1CCC(C(COc2ccc(O)cc2)C(=O)O)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid?
The InChIKey is QXZQZZWGNWDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-17-9-7-12(8-10-17)15(16(19)20)11-21-14-5-3-13(18)4-6-14/h3-6,12,15,18H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid?
2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid is sourced from PubChem (CID 117239836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).