tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate

C19H34BNO4 — CID 123586095

IUPACtert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=CB2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C19H34BNO4/c1-17(2,3)23-16(22)21-13-10-15(11-14-21)9-8-12-20-24-18(4,5)19(6,7)25-20/h8,12,15H,9-11,13-14H2,1-7H3
InChIKeyYAYLFWGORHVWLA-UHFFFAOYSA-N
MW351.30 g/mol
LogP4.21
Rot. Bonds3

About tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate

tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate (PubChem CID 123586095) has the molecular formula C19H34BNO4 and a molecular weight of 351.30 g/mol. Its IUPAC name is tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate
PubChem CID123586095
Molecular FormulaC19H34BNO4
Molecular Weight351.30 g/mol
Exact Mass351.26
IUPAC Nametert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=CB2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C19H34BNO4/c1-17(2,3)23-16(22)21-13-10-15(11-14-21)9-8-12-20-24-18(4,5)19(6,7)25-20/h8,12,15H,9-11,13-14H2,1-7H3
InChIKeyYAYLFWGORHVWLA-UHFFFAOYSA-N
XLogP4.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate 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

tert-butyl 4-[(E)-5-trimethylsilylpent-2-enyl]piperidine-1-carboxylate
CID 142635325
2-[(E)-3-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140824914
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
tert-butyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]piperidine-1-carboxylate
CID 126963332
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperazine-1-carboxylate
CID 170992054
tert-butyl 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]piperidine-1-carboxylate
CID 175662928
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 76625784
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate (CID 123586095) is tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC=CB2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate?
The InChIKey is YAYLFWGORHVWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34BNO4/c1-17(2,3)23-16(22)21-13-10-15(11-14-21)9-8-12-20-24-18(4,5)19(6,7)25-20/h8,12,15H,9-11,13-14H2,1-7H3.
What are the key properties of tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate?
tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate has a molecular weight of 351.30 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 123586095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).