[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid

C13H21BN2O3 — CID 169002752

IUPAC[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(OCCCN2CCCCC2)nc1
InChIInChI=1S/C13H21BN2O3/c17-14(18)12-5-6-13(15-11-12)19-10-4-9-16-7-2-1-3-8-16/h5-6,11,17-18H,1-4,7-10H2
InChIKeyROJCOPSYNWIVKF-UHFFFAOYSA-N
MW264.13 g/mol
LogP0.02
Rot. Bonds6

About [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid

[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid (PubChem CID 169002752) has the molecular formula C13H21BN2O3 and a molecular weight of 264.13 g/mol. Its IUPAC name is [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
PubChem CID169002752
Molecular FormulaC13H21BN2O3
Molecular Weight264.13 g/mol
Exact Mass264.16
IUPAC Name[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(OCCCN2CCCCC2)nc1
InChIInChI=1S/C13H21BN2O3/c17-14(18)12-5-6-13(15-11-12)19-10-4-9-16-7-2-1-3-8-16/h5-6,11,17-18H,1-4,7-10H2
InChIKeyROJCOPSYNWIVKF-UHFFFAOYSA-N
XLogP0.02
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
[3-chloro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]boronic acid
CID 91759291
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110
5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
CID 142390979
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 159099141
1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine
CID 135172513
6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 169229580

Frequently Asked Questions

What is the IUPAC name of [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid (CID 169002752) is [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid is OB(O)c1ccc(OCCCN2CCCCC2)nc1.
What is the InChIKey of [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid?
The InChIKey is ROJCOPSYNWIVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BN2O3/c17-14(18)12-5-6-13(15-11-12)19-10-4-9-16-7-2-1-3-8-16/h5-6,11,17-18H,1-4,7-10H2.
What are the key properties of [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid?
[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid has a molecular weight of 264.13 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid is sourced from PubChem (CID 169002752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).