2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid

C15H22N2O3 — CID 117446340

IUPAC2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid
SMILESCC(C)N1CCN(c2ccccc2C(O)C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-7-9-17(10-8-16)13-6-4-3-5-12(13)14(18)15(19)20/h3-6,11,14,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyJQGLJOPYEPPMEL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.34
Rot. Bonds4

About 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid

2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid (PubChem CID 117446340) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid
PubChem CID117446340
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid
SMILESCC(C)N1CCN(c2ccccc2C(O)C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-11(2)16-7-9-17(10-8-16)13-6-4-3-5-12(13)14(18)15(19)20/h3-6,11,14,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyJQGLJOPYEPPMEL-UHFFFAOYSA-N
XLogP1.34
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid (CID 117446340) is 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid is CC(C)N1CCN(c2ccccc2C(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid?
The InChIKey is JQGLJOPYEPPMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)16-7-9-17(10-8-16)13-6-4-3-5-12(13)14(18)15(19)20/h3-6,11,14,18H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid?
2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]acetic acid is sourced from PubChem (CID 117446340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).