1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine

C12H16BNO2 — CID 86573275

IUPAC1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine
SMILESOB1OC(N2CCCCC2)c2ccccc21
InChIInChI=1S/C12H16BNO2/c15-13-11-7-3-2-6-10(11)12(16-13)14-8-4-1-5-9-14/h2-3,6-7,12,15H,1,4-5,8-9H2
InChIKeyUEZXPODZXRZYID-UHFFFAOYSA-N
MW217.08 g/mol
LogP0.89
Rot. Bonds1

About 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine

1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine (PubChem CID 86573275) has the molecular formula C12H16BNO2 and a molecular weight of 217.08 g/mol. Its IUPAC name is 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine.

Molecular Properties

Compound Name1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine
PubChem CID86573275
Molecular FormulaC12H16BNO2
Molecular Weight217.08 g/mol
Exact Mass217.13
IUPAC Name1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine
SMILESOB1OC(N2CCCCC2)c2ccccc21
InChIInChI=1S/C12H16BNO2/c15-13-11-7-3-2-6-10(11)12(16-13)14-8-4-1-5-9-14/h2-3,6-7,12,15H,1,4-5,8-9H2
InChIKeyUEZXPODZXRZYID-UHFFFAOYSA-N
XLogP0.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Piperidin-1-yl)methyl]benzyl alcohol
CID 7162041
4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine
CID 155528617
1,4-bis(4-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperazine
CID 168276528
4-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine
CID 68084095
1,4-bis(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperazine
CID 86573308
1-[Methoxy(phenyl)methyl]piperidine
CID 135035543
4-[(1-hydroxy-3H-2,1-benzoxaborol-3-yl)methyl]morpholine
CID 134158129
[3-(5-fluoro-3H-2,1-benzoxaborol-1-yl)phenyl]methyl-trimethylazanium
CID 59008763
N-ethyl-N-[[3-(5-fluoro-3H-2,1-benzoxaborol-1-yl)phenyl]methyl]ethanamine
CID 59008776
1-[3-(5-fluoro-3H-2,1-benzoxaborol-1-yl)phenyl]-N,N-dimethylmethanamine
CID 59008794
1-[[3-(5-fluoro-3H-2,1-benzoxaborol-1-yl)phenyl]methyl]-4-methylpiperazine
CID 59008800
diethyl-[[3-(5-fluoro-3H-2,1-benzoxaborol-1-yl)phenyl]methyl]-methylazanium
CID 59008808

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine?
The IUPAC name of 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine (CID 86573275) is 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine.
What is the SMILES notation for 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine?
The canonical SMILES for 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine is OB1OC(N2CCCCC2)c2ccccc21.
What is the InChIKey of 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine?
The InChIKey is UEZXPODZXRZYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BNO2/c15-13-11-7-3-2-6-10(11)12(16-13)14-8-4-1-5-9-14/h2-3,6-7,12,15H,1,4-5,8-9H2.
What are the key properties of 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine?
1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine has a molecular weight of 217.08 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)piperidine is sourced from PubChem (CID 86573275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).