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

C12H20BN3O3 — CID 142794515

IUPAC[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid
SMILESCN(C)C1CCN(c2cc(OB(O)O)ccn2)CC1
InChIInChI=1S/C12H20BN3O3/c1-15(2)10-4-7-16(8-5-10)12-9-11(3-6-14-12)19-13(17)18/h3,6,9-10,17-18H,4-5,7-8H2,1-2H3
InChIKeyXXBDPJJSXSYZOF-UHFFFAOYSA-N
MW265.12 g/mol
LogP-0.04
Rot. Bonds4

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

[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid (PubChem CID 142794515) has the molecular formula C12H20BN3O3 and a molecular weight of 265.12 g/mol. Its IUPAC name is [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid.

Molecular Properties

Compound Name[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid
PubChem CID142794515
Molecular FormulaC12H20BN3O3
Molecular Weight265.12 g/mol
Exact Mass265.16
IUPAC Name[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid
SMILESCN(C)C1CCN(c2cc(OB(O)O)ccn2)CC1
InChIInChI=1S/C12H20BN3O3/c1-15(2)10-4-7-16(8-5-10)12-9-11(3-6-14-12)19-13(17)18/h3,6,9-10,17-18H,4-5,7-8H2,1-2H3
InChIKeyXXBDPJJSXSYZOF-UHFFFAOYSA-N
XLogP-0.04
TPSA69.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-0.04
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-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid
CID 142770526
(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid
CID 142726722
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357
1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine
CID 134813656
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
1-(4-methoxy-2-pyridinyl)pyrrolidin-3-amine
CID 83618665
1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine
CID 170746872
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
1-(6-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 63962583
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
methane;trans-(1R,2R)-2-[[6-[[2-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 160546105
4-fluoro-2-(4-methoxypiperidin-1-yl)pyridine
CID 70661184

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid?
The IUPAC name of [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid (CID 142794515) is [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid.
What is the SMILES notation for [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid?
The canonical SMILES for [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid is CN(C)C1CCN(c2cc(OB(O)O)ccn2)CC1.
What is the InChIKey of [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid?
The InChIKey is XXBDPJJSXSYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BN3O3/c1-15(2)10-4-7-16(8-5-10)12-9-11(3-6-14-12)19-13(17)18/h3,6,9-10,17-18H,4-5,7-8H2,1-2H3.
What are the key properties of [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid?
[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid has a molecular weight of 265.12 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid is sourced from PubChem (CID 142794515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).