2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid

C16H24N2O5 — CID 91810630

IUPAC2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid
SMILESCOc1ccccc1OCC(O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C16H24N2O5/c1-22-14-4-2-3-5-15(14)23-12-13(19)10-17-6-8-18(9-7-17)11-16(20)21/h2-5,13,19H,6-12H2,1H3,(H,20,21)
InChIKeyVSJIQXMQDMIROR-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.14
Rot. Bonds8

About 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid

2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid (PubChem CID 91810630) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid
PubChem CID91810630
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid
SMILESCOc1ccccc1OCC(O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C16H24N2O5/c1-22-14-4-2-3-5-15(14)23-12-13(19)10-17-6-8-18(9-7-17)11-16(20)21/h2-5,13,19H,6-12H2,1H3,(H,20,21)
InChIKeyVSJIQXMQDMIROR-UHFFFAOYSA-N
XLogP0.14
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid (CID 91810630) is 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid is COc1ccccc1OCC(O)CN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid?
The InChIKey is VSJIQXMQDMIROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-22-14-4-2-3-5-15(14)23-12-13(19)10-17-6-8-18(9-7-17)11-16(20)21/h2-5,13,19H,6-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid?
2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 91810630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).