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

C18H27BClNO2 — CID 155920966

IUPAC1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCC1(C)OB(C2=CCCN(Cc3ccccc3)C2)OC1(C)C.Cl
InChIInChI=1S/C18H26BNO2.ClH/c1-17(2)18(3,4)22-19(21-17)16-11-8-12-20(14-16)13-15-9-6-5-7-10-15;/h5-7,9-11H,8,12-14H2,1-4H3;1H
InChIKeyJLEOLELMRKIWOG-UHFFFAOYSA-N
MW335.68 g/mol
LogP3.87
Rot. Bonds3

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

1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 155920966) has the molecular formula C18H27BClNO2 and a molecular weight of 335.68 g/mol. Its IUPAC name is 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID155920966
Molecular FormulaC18H27BClNO2
Molecular Weight335.68 g/mol
Exact Mass335.18
IUPAC Name1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCC1(C)OB(C2=CCCN(Cc3ccccc3)C2)OC1(C)C.Cl
InChIInChI=1S/C18H26BNO2.ClH/c1-17(2)18(3,4)22-19(21-17)16-11-8-12-20(14-16)13-15-9-6-5-7-10-15;/h5-7,9-11H,8,12-14H2,1-4H3;1H
InChIKeyJLEOLELMRKIWOG-UHFFFAOYSA-N
XLogP3.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
CID 146049485
1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole
CID 11346283
1-benzyl-3-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pyrrolidine
CID 171111962
(3R,8aS)-2-benzyl-3-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4,6,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine;sulfane
CID 162213419
1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582
1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyridine-2,2,6,6-tetrol;ethane
CID 144736347
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azetidine
CID 68594445
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
1'-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 133058584
1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
CID 18525872
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
1-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
CID 11231398

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride (CID 155920966) is 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride is CC1(C)OB(C2=CCCN(Cc3ccccc3)C2)OC1(C)C.Cl.
What is the InChIKey of 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is JLEOLELMRKIWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BNO2.ClH/c1-17(2)18(3,4)22-19(21-17)16-11-8-12-20(14-16)13-15-9-6-5-7-10-15;/h5-7,9-11H,8,12-14H2,1-4H3;1H.
What are the key properties of 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 335.68 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 155920966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).