(2-piperazin-1-yl-3-pyridinyl)boronic acid

C9H14BN3O2 — CID 53445093

IUPAC(2-piperazin-1-yl-3-pyridinyl)boronic acid
SMILESOB(O)c1cccnc1N1CCNCC1
InChIInChI=1S/C9H14BN3O2/c14-10(15)8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11,14-15H,4-7H2
InChIKeyIABWFZHBFHJNQO-UHFFFAOYSA-N
MW207.04 g/mol
LogP-1.83
Rot. Bonds2

About (2-piperazin-1-yl-3-pyridinyl)boronic acid

(2-piperazin-1-yl-3-pyridinyl)boronic acid (PubChem CID 53445093) has the molecular formula C9H14BN3O2 and a molecular weight of 207.04 g/mol. Its IUPAC name is (2-piperazin-1-yl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-piperazin-1-yl-3-pyridinyl)boronic acid
PubChem CID53445093
Molecular FormulaC9H14BN3O2
Molecular Weight207.04 g/mol
Exact Mass207.12
IUPAC Name(2-piperazin-1-yl-3-pyridinyl)boronic acid
SMILESOB(O)c1cccnc1N1CCNCC1
InChIInChI=1S/C9H14BN3O2/c14-10(15)8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11,14-15H,4-7H2
InChIKeyIABWFZHBFHJNQO-UHFFFAOYSA-N
XLogP-1.83
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.04
LogP ≤ 5-1.83
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-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
2-(2-piperazin-1-yl-3-pyridinyl)butanoic acid
CID 174664447
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
CID 72550146
8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 170875415
5-piperazin-1-ylquinoline
CID 10656226
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367
2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 10106660
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237

Frequently Asked Questions

What is the IUPAC name of (2-piperazin-1-yl-3-pyridinyl)boronic acid?
The IUPAC name of (2-piperazin-1-yl-3-pyridinyl)boronic acid (CID 53445093) is (2-piperazin-1-yl-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-piperazin-1-yl-3-pyridinyl)boronic acid?
The canonical SMILES for (2-piperazin-1-yl-3-pyridinyl)boronic acid is OB(O)c1cccnc1N1CCNCC1.
What is the InChIKey of (2-piperazin-1-yl-3-pyridinyl)boronic acid?
The InChIKey is IABWFZHBFHJNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BN3O2/c14-10(15)8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11,14-15H,4-7H2.
What are the key properties of (2-piperazin-1-yl-3-pyridinyl)boronic acid?
(2-piperazin-1-yl-3-pyridinyl)boronic acid has a molecular weight of 207.04 g/mol, XLogP of -1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperazin-1-yl-3-pyridinyl)boronic acid is sourced from PubChem (CID 53445093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).