1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine

C17H24BNO2 — CID 66744469

IUPAC1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC1(C)OB(C2=CCN(c3ccccc3)CC2)OC1(C)C
InChIInChI=1S/C17H24BNO2/c1-16(2)17(3,4)21-18(20-16)14-10-12-19(13-11-14)15-8-6-5-7-9-15/h5-10H,11-13H2,1-4H3
InChIKeyGBKSLFBOVVPQSF-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.45
Rot. Bonds2

About 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine

1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 66744469) has the molecular formula C17H24BNO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID66744469
Molecular FormulaC17H24BNO2
Molecular Weight285.20 g/mol
Exact Mass285.19
IUPAC Name1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC1(C)OB(C2=CCN(c3ccccc3)CC2)OC1(C)C
InChIInChI=1S/C17H24BNO2/c1-16(2)17(3,4)21-18(20-16)14-10-12-19(13-11-14)15-8-6-5-7-9-15/h5-10H,11-13H2,1-4H3
InChIKeyGBKSLFBOVVPQSF-UHFFFAOYSA-N
XLogP3.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine (CID 66744469) is 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine is CC1(C)OB(C2=CCN(c3ccccc3)CC2)OC1(C)C.
What is the InChIKey of 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is GBKSLFBOVVPQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BNO2/c1-16(2)17(3,4)21-18(20-16)14-10-12-19(13-11-14)15-8-6-5-7-9-15/h5-10H,11-13H2,1-4H3.
What are the key properties of 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine?
1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 285.20 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 66744469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).