3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid

C16H23NO4 — CID 136550595

IUPAC3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid
SMILESCCC1(O)CCN(CCOc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C16H23NO4/c1-2-16(20)6-8-17(9-7-16)10-11-21-14-5-3-4-13(12-14)15(18)19/h3-5,12,20H,2,6-11H2,1H3,(H,18,19)
InChIKeyRQJTWUAELHAEQI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds6

About 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid

3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid (PubChem CID 136550595) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid
PubChem CID136550595
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid
SMILESCCC1(O)CCN(CCOc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C16H23NO4/c1-2-16(20)6-8-17(9-7-16)10-11-21-14-5-3-4-13(12-14)15(18)19/h3-5,12,20H,2,6-11H2,1H3,(H,18,19)
InChIKeyRQJTWUAELHAEQI-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 79188544
3-[2-(3,5-dioxopiperazin-1-yl)ethoxy]benzoic acid
CID 66085716
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 63971546
3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43593001
3-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63609414
1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126737
3-[2-(3-fluoropyrrolidin-1-yl)ethoxy]benzoic acid
CID 77441688
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid
CID 103264761

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid (CID 136550595) is 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid is CCC1(O)CCN(CCOc2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid?
The InChIKey is RQJTWUAELHAEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-16(20)6-8-17(9-7-16)10-11-21-14-5-3-4-13(12-14)15(18)19/h3-5,12,20H,2,6-11H2,1H3,(H,18,19).
What are the key properties of 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid?
3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 136550595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).