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

C14H19NO4 — CID 61434873

IUPAC3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cccc(OCCN2CCCC(O)C2)c1
InChIInChI=1S/C14H19NO4/c16-12-4-2-6-15(10-12)7-8-19-13-5-1-3-11(9-13)14(17)18/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18)
InChIKeyOYIQIMUPNWQKLH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.22
Rot. Bonds5

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

3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid (PubChem CID 61434873) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
PubChem CID61434873
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cccc(OCCN2CCCC(O)C2)c1
InChIInChI=1S/C14H19NO4/c16-12-4-2-6-15(10-12)7-8-19-13-5-1-3-11(9-13)14(17)18/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18)
InChIKeyOYIQIMUPNWQKLH-UHFFFAOYSA-N
XLogP1.22
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
CID 61403557
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
3-[2-(3-fluoropyrrolidin-1-yl)ethoxy]benzoic acid
CID 77441688
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
3-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethoxy]benzoic acid
CID 79929384
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 79188544
3-[(3R)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-3-yl]benzoic acid
CID 97187424
3-[2-(6-cyclobutyl-1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 136550798
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
3-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 114501202

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid (CID 61434873) is 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid is O=C(O)c1cccc(OCCN2CCCC(O)C2)c1.
What is the InChIKey of 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid?
The InChIKey is OYIQIMUPNWQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-12-4-2-6-15(10-12)7-8-19-13-5-1-3-11(9-13)14(17)18/h1,3,5,9,12,16H,2,4,6-8,10H2,(H,17,18).
What are the key properties of 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid?
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 61434873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).