2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid

C13H18N2O3 — CID 117379200

IUPAC2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C13H18N2O3/c16-12(13(17)18)11-3-1-10(2-4-11)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2,(H,17,18)
InChIKeyLVUHYOVBQAJDPV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.21
Rot. Bonds4

About 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid

2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid (PubChem CID 117379200) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid
PubChem CID117379200
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C13H18N2O3/c16-12(13(17)18)11-3-1-10(2-4-11)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2,(H,17,18)
InChIKeyLVUHYOVBQAJDPV-UHFFFAOYSA-N
XLogP0.21
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[4-(piperazin-1-ylmethyl)phenyl]propanoic acid
CID 117413227
4-amino-4-[4-(piperazin-1-ylmethyl)phenyl]butanoic acid
CID 117444732
N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
CID 71111619
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
azane;1-benzylpiperazine
CID 174866973
4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
CID 117111640
2-[4-(1,4-diazepan-1-ylmethyl)phenyl]propanehydrazide
CID 105351905
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
2-[3-(piperazin-1-ylmethyl)phenyl]propanoic acid;dihydrochloride
CID 117046322
2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
CID 117438634
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
acetic acid;2-[4-(1,4-diazepan-1-ylmethyl)phenyl]acetic acid
CID 154911280

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid (CID 117379200) is 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid is O=C(O)C(O)c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid?
The InChIKey is LVUHYOVBQAJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12(13(17)18)11-3-1-10(2-4-11)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2,(H,17,18).
What are the key properties of 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid?
2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid is sourced from PubChem (CID 117379200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).