3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid

C18H24N2O5 — CID 73443103

IUPAC3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid
SMILESO=C(O)c1cccc(N2CCC(N3CCC(O)CC3)CC2)c1C(=O)O
InChIInChI=1S/C18H24N2O5/c21-13-6-10-19(11-7-13)12-4-8-20(9-5-12)15-3-1-2-14(17(22)23)16(15)18(24)25/h1-3,12-13,21H,4-11H2,(H,22,23)(H,24,25)
InChIKeyWWRXTOYPYLAMNQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.51
Rot. Bonds4

About 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid

3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid (PubChem CID 73443103) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid
PubChem CID73443103
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid
SMILESO=C(O)c1cccc(N2CCC(N3CCC(O)CC3)CC2)c1C(=O)O
InChIInChI=1S/C18H24N2O5/c21-13-6-10-19(11-7-13)12-4-8-20(9-5-12)15-3-1-2-14(17(22)23)16(15)18(24)25/h1-3,12-13,21H,4-11H2,(H,22,23)(H,24,25)
InChIKeyWWRXTOYPYLAMNQ-UHFFFAOYSA-N
XLogP1.51
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid?
The IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid (CID 73443103) is 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid.
What is the SMILES notation for 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid?
The canonical SMILES for 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid is O=C(O)c1cccc(N2CCC(N3CCC(O)CC3)CC2)c1C(=O)O.
What is the InChIKey of 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid?
The InChIKey is WWRXTOYPYLAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-13-6-10-19(11-7-13)12-4-8-20(9-5-12)15-3-1-2-14(17(22)23)16(15)18(24)25/h1-3,12-13,21H,4-11H2,(H,22,23)(H,24,25).
What are the key properties of 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid?
3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid has a molecular weight of 348.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phthalic acid is sourced from PubChem (CID 73443103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).