3-(4-hydroxypiperidin-1-yl)phthalic acid

C13H15NO5 — CID 24767974

IUPAC3-(4-hydroxypiperidin-1-yl)phthalic acid
SMILESO=C(O)c1cccc(N2CCC(O)CC2)c1C(=O)O
InChIInChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
InChIKeyWHCKCCDPUOWOSW-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.04
Rot. Bonds3

About 3-(4-hydroxypiperidin-1-yl)phthalic acid

3-(4-hydroxypiperidin-1-yl)phthalic acid (PubChem CID 24767974) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)phthalic acid.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)phthalic acid
PubChem CID24767974
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-(4-hydroxypiperidin-1-yl)phthalic acid
SMILESO=C(O)c1cccc(N2CCC(O)CC2)c1C(=O)O
InChIInChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
InChIKeyWHCKCCDPUOWOSW-UHFFFAOYSA-N
XLogP1.04
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)phthalic acid?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)phthalic acid (CID 24767974) is 3-(4-hydroxypiperidin-1-yl)phthalic acid.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)phthalic acid?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)phthalic acid is O=C(O)c1cccc(N2CCC(O)CC2)c1C(=O)O.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)phthalic acid?
The InChIKey is WHCKCCDPUOWOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)phthalic acid?
3-(4-hydroxypiperidin-1-yl)phthalic acid has a molecular weight of 265.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)phthalic acid is sourced from PubChem (CID 24767974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).