3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid

C19H19NO5 — CID 24767975

IUPAC3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid
SMILESO=C(O)c1cccc(N2CCC(O)(c3ccccc3)CC2)c1C(=O)O
InChIInChI=1S/C19H19NO5/c21-17(22)14-7-4-8-15(16(14)18(23)24)20-11-9-19(25,10-12-20)13-5-2-1-3-6-13/h1-8,25H,9-12H2,(H,21,22)(H,23,24)
InChIKeyGFTPOQRQCZCALS-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid

3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid (PubChem CID 24767975) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid.

Molecular Properties

Compound Name3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid
PubChem CID24767975
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid
SMILESO=C(O)c1cccc(N2CCC(O)(c3ccccc3)CC2)c1C(=O)O
InChIInChI=1S/C19H19NO5/c21-17(22)14-7-4-8-15(16(14)18(23)24)20-11-9-19(25,10-12-20)13-5-2-1-3-6-13/h1-8,25H,9-12H2,(H,21,22)(H,23,24)
InChIKeyGFTPOQRQCZCALS-UHFFFAOYSA-N
XLogP2.57
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid?
The IUPAC name of 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid (CID 24767975) is 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid.
What is the SMILES notation for 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid?
The canonical SMILES for 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid is O=C(O)c1cccc(N2CCC(O)(c3ccccc3)CC2)c1C(=O)O.
What is the InChIKey of 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid?
The InChIKey is GFTPOQRQCZCALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-17(22)14-7-4-8-15(16(14)18(23)24)20-11-9-19(25,10-12-20)13-5-2-1-3-6-13/h1-8,25H,9-12H2,(H,21,22)(H,23,24).
What are the key properties of 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid?
3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid has a molecular weight of 341.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-phenylpiperidin-1-yl)phthalic acid is sourced from PubChem (CID 24767975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).