2-phenoxyacetic acid;piperazine

C12H18N2O3 — CID 54610102

IUPAC2-phenoxyacetic acid;piperazine
SMILESC1CNCCN1.O=C(O)COc1ccccc1
InChIInChI=1S/C8H8O3.C4H10N2/c9-8(10)6-11-7-4-2-1-3-5-7;1-2-6-4-3-5-1/h1-5H,6H2,(H,9,10);5-6H,1-4H2
InChIKeyWVUWEYZKTZAYNN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.33
Rot. Bonds3

About 2-phenoxyacetic acid;piperazine

2-phenoxyacetic acid;piperazine (PubChem CID 54610102) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-phenoxyacetic acid;piperazine.

Molecular Properties

Compound Name2-phenoxyacetic acid;piperazine
PubChem CID54610102
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-phenoxyacetic acid;piperazine
SMILESC1CNCCN1.O=C(O)COc1ccccc1
InChIInChI=1S/C8H8O3.C4H10N2/c9-8(10)6-11-7-4-2-1-3-5-7;1-2-6-4-3-5-1/h1-5H,6H2,(H,9,10);5-6H,1-4H2
InChIKeyWVUWEYZKTZAYNN-UHFFFAOYSA-N
XLogP0.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-phenoxyacetic acid;phenyl acetate
CID 160680696
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
CID 175172730
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
2-[4-(3,3,3-triphenylpropoxy)phenoxy]acetic acid
CID 54073970
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyacetic acid;piperazine?
The IUPAC name of 2-phenoxyacetic acid;piperazine (CID 54610102) is 2-phenoxyacetic acid;piperazine.
What is the SMILES notation for 2-phenoxyacetic acid;piperazine?
The canonical SMILES for 2-phenoxyacetic acid;piperazine is C1CNCCN1.O=C(O)COc1ccccc1.
What is the InChIKey of 2-phenoxyacetic acid;piperazine?
The InChIKey is WVUWEYZKTZAYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C4H10N2/c9-8(10)6-11-7-4-2-1-3-5-7;1-2-6-4-3-5-1/h1-5H,6H2,(H,9,10);5-6H,1-4H2.
What are the key properties of 2-phenoxyacetic acid;piperazine?
2-phenoxyacetic acid;piperazine has a molecular weight of 238.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyacetic acid;piperazine is sourced from PubChem (CID 54610102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).