(4-piperazin-1-ylphenoxy)boronic acid

C10H15BN2O3 — CID 162076095

IUPAC(4-piperazin-1-ylphenoxy)boronic acid
SMILESOB(O)Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H15BN2O3/c14-11(15)16-10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12,14-15H,5-8H2
InChIKeyPPLJWOXBWIVLPA-UHFFFAOYSA-N
MW222.05 g/mol
LogP-0.56
Rot. Bonds3

About (4-piperazin-1-ylphenoxy)boronic acid

(4-piperazin-1-ylphenoxy)boronic acid (PubChem CID 162076095) has the molecular formula C10H15BN2O3 and a molecular weight of 222.05 g/mol. Its IUPAC name is (4-piperazin-1-ylphenoxy)boronic acid.

Molecular Properties

Compound Name(4-piperazin-1-ylphenoxy)boronic acid
PubChem CID162076095
Molecular FormulaC10H15BN2O3
Molecular Weight222.05 g/mol
Exact Mass222.12
IUPAC Name(4-piperazin-1-ylphenoxy)boronic acid
SMILESOB(O)Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H15BN2O3/c14-11(15)16-10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12,14-15H,5-8H2
InChIKeyPPLJWOXBWIVLPA-UHFFFAOYSA-N
XLogP-0.56
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-(4-phenoxyphenyl)piperazine
CID 3017356
2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
2,3-dimethylbutane-2,3-diol;[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]boronic acid
CID 175523136
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine
CID 115410870
1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine
CID 115410866
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
(4-piperazin-1-ylphenyl) butanoate
CID 123824502
bis(4-piperazin-1-ylphenyl)diazene
CID 25170712

Frequently Asked Questions

What is the IUPAC name of (4-piperazin-1-ylphenoxy)boronic acid?
The IUPAC name of (4-piperazin-1-ylphenoxy)boronic acid (CID 162076095) is (4-piperazin-1-ylphenoxy)boronic acid.
What is the SMILES notation for (4-piperazin-1-ylphenoxy)boronic acid?
The canonical SMILES for (4-piperazin-1-ylphenoxy)boronic acid is OB(O)Oc1ccc(N2CCNCC2)cc1.
What is the InChIKey of (4-piperazin-1-ylphenoxy)boronic acid?
The InChIKey is PPLJWOXBWIVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BN2O3/c14-11(15)16-10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12,14-15H,5-8H2.
What are the key properties of (4-piperazin-1-ylphenoxy)boronic acid?
(4-piperazin-1-ylphenoxy)boronic acid has a molecular weight of 222.05 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperazin-1-ylphenoxy)boronic acid is sourced from PubChem (CID 162076095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).