tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane

C14H28BNO4 — CID 177166107

IUPACtert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(C2COB2O)CC1
InChIInChI=1S/C12H22BNO4.C2H6/c1-12(2,3)18-11(15)14-6-4-9(5-7-14)10-8-17-13(10)16;1-2/h9-10,16H,4-8H2,1-3H3;1-2H3
InChIKeyTTZODZNBLIJMDY-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.54
Rot. Bonds1

About tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane

tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane (PubChem CID 177166107) has the molecular formula C14H28BNO4 and a molecular weight of 285.19 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane
PubChem CID177166107
Molecular FormulaC14H28BNO4
Molecular Weight285.19 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(C2COB2O)CC1
InChIInChI=1S/C12H22BNO4.C2H6/c1-12(2,3)18-11(15)14-6-4-9(5-7-14)10-8-17-13(10)16;1-2/h9-10,16H,4-8H2,1-3H3;1-2H3
InChIKeyTTZODZNBLIJMDY-UHFFFAOYSA-N
XLogP2.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
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CID 124704176
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
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CID 63788488
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tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128555
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]piperidine-1-carboxylate
CID 135344448
tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate
CID 97179772

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane (CID 177166107) is tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC(C2COB2O)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane?
The InChIKey is TTZODZNBLIJMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BNO4.C2H6/c1-12(2,3)18-11(15)14-6-4-9(5-7-14)10-8-17-13(10)16;1-2/h9-10,16H,4-8H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane?
tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane has a molecular weight of 285.19 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxyoxaboretan-3-yl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 177166107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).