tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate

C16H30BNO4 — CID 124704464

IUPACtert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-11-9-8-10-12(18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyYLTQCJDLGHTJDE-LBPRGKRZSA-N
MW311.23 g/mol
LogP3.41
Rot. Bonds1

About tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate

tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate (PubChem CID 124704464) has the molecular formula C16H30BNO4 and a molecular weight of 311.23 g/mol. Its IUPAC name is tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
PubChem CID124704464
Molecular FormulaC16H30BNO4
Molecular Weight311.23 g/mol
Exact Mass311.23
IUPAC Nametert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-11-9-8-10-12(18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyYLTQCJDLGHTJDE-LBPRGKRZSA-N
XLogP3.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine-1-carboxylate
CID 11002575
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
CID 71700020
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl (2R)-2-trimethylsilylpiperidine-1-carboxylate
CID 11594083
tert-butyl (2S)-2-(1-amino-2,3-dihydroxypropan-2-yl)piperidine-1-carboxylate
CID 139469846
tert-butyl (2R)-2-ethynylpyrrolidine-1-carboxylate
CID 10262067
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10704682
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate (CID 124704464) is tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate?
The InChIKey is YLTQCJDLGHTJDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-11-9-8-10-12(18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3/t12-/m0/s1.
What are the key properties of tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate?
tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate has a molecular weight of 311.23 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 124704464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).