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

C19H29BClNO2 — CID 146049485

IUPAC1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C19H28BNO2.ClH/c1-15-11-12-21(13-16-9-7-6-8-10-16)14-17(15)20-22-18(2,3)19(4,5)23-20;/h6-10H,11-14H2,1-5H3;1H
InChIKeyNXXZLNGHYJCJMP-UHFFFAOYSA-N
MW349.71 g/mol
LogP4.26
Rot. Bonds3

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

1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 146049485) has the molecular formula C19H29BClNO2 and a molecular weight of 349.71 g/mol. Its IUPAC name is 1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID146049485
Molecular FormulaC19H29BClNO2
Molecular Weight349.71 g/mol
Exact Mass349.20
IUPAC Name1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C19H28BNO2.ClH/c1-15-11-12-21(13-16-9-7-6-8-10-16)14-17(15)20-22-18(2,3)19(4,5)23-20;/h6-10H,11-14H2,1-5H3;1H
InChIKeyNXXZLNGHYJCJMP-UHFFFAOYSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
CID 155920966
1-benzyl-3-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pyrrolidine
CID 171111962
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
1-benzyl-4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-3-methylpiperidine
CID 171113364
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azetidine
CID 68594445
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
1-benzyl-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
CID 172645088
1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
CID 18525872
(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
CID 10911293
6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59447643
1-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
CID 11231398
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride (CID 146049485) is 1-benzyl-4-methyl-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-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride is CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is NXXZLNGHYJCJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BNO2.ClH/c1-15-11-12-21(13-16-9-7-6-8-10-16)14-17(15)20-22-18(2,3)19(4,5)23-20;/h6-10H,11-14H2,1-5H3;1H.
What are the key properties of 1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride?
1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 349.71 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 146049485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).