[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid

C10H16BN3O3 — CID 142770526

IUPAC[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid
SMILESCN1CCN(c2cc(OB(O)O)ccn2)CC1
InChIInChI=1S/C10H16BN3O3/c1-13-4-6-14(7-5-13)10-8-9(2-3-12-10)17-11(15)16/h2-3,8,15-16H,4-7H2,1H3
InChIKeyNAKALBGRUKONIO-UHFFFAOYSA-N
MW237.07 g/mol
LogP-0.82
Rot. Bonds3

About [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid

[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid (PubChem CID 142770526) has the molecular formula C10H16BN3O3 and a molecular weight of 237.07 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid
PubChem CID142770526
Molecular FormulaC10H16BN3O3
Molecular Weight237.07 g/mol
Exact Mass237.13
IUPAC Name[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid
SMILESCN1CCN(c2cc(OB(O)O)ccn2)CC1
InChIInChI=1S/C10H16BN3O3/c1-13-4-6-14(7-5-13)10-8-9(2-3-12-10)17-11(15)16/h2-3,8,15-16H,4-7H2,1H3
InChIKeyNAKALBGRUKONIO-UHFFFAOYSA-N
XLogP-0.82
TPSA69.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid
CID 142726722
[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid
CID 142794515
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081
N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
CID 58709836
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597491
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid (CID 142770526) is [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid is CN1CCN(c2cc(OB(O)O)ccn2)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid?
The InChIKey is NAKALBGRUKONIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BN3O3/c1-13-4-6-14(7-5-13)10-8-9(2-3-12-10)17-11(15)16/h2-3,8,15-16H,4-7H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid?
[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid has a molecular weight of 237.07 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid is sourced from PubChem (CID 142770526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).