1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine

C19H30BNO2 — CID 163258631

IUPAC1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
SMILESCC1(B2OC(C)(C)C(C)(C)O2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30BNO2/c1-17(2)18(3,4)23-20(22-17)19(5)11-13-21(14-12-19)15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3
InChIKeyFHTONUVKMCHODQ-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.13
Rot. Bonds3

About 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine

1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine (PubChem CID 163258631) has the molecular formula C19H30BNO2 and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
PubChem CID163258631
Molecular FormulaC19H30BNO2
Molecular Weight315.27 g/mol
Exact Mass315.24
IUPAC Name1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
SMILESCC1(B2OC(C)(C)C(C)(C)O2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H30BNO2/c1-17(2)18(3,4)23-20(22-17)19(5)11-13-21(14-12-19)15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3
InChIKeyFHTONUVKMCHODQ-UHFFFAOYSA-N
XLogP4.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine?
The IUPAC name of 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine (CID 163258631) is 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine?
The canonical SMILES for 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine is CC1(B2OC(C)(C)C(C)(C)O2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine?
The InChIKey is FHTONUVKMCHODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BNO2/c1-17(2)18(3,4)23-20(22-17)19(5)11-13-21(14-12-19)15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3.
What are the key properties of 1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine?
1-benzyl-4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine has a molecular weight of 315.27 g/mol, XLogP of 4.13, 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-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine is sourced from PubChem (CID 163258631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).