(4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane

C8H15BNO- — CID 163533265

IUPAC(4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane
SMILESC=BC1CC(C)C(C)CN1[O-]
InChIInChI=1S/C8H15BNO/c1-6-4-8(9-3)10(11)5-7(6)2/h6-8H,3-5H2,1-2H3/q-1
InChIKeyGHBXIJVRWCKVNF-UHFFFAOYSA-N
MW152.03 g/mol
LogP0.92
Rot. Bonds1

About (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane

(4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane (PubChem CID 163533265) has the molecular formula C8H15BNO- and a molecular weight of 152.03 g/mol. Its IUPAC name is (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane.

Molecular Properties

Compound Name(4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane
PubChem CID163533265
Molecular FormulaC8H15BNO-
Molecular Weight152.03 g/mol
Exact Mass152.13
IUPAC Name(4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane
SMILESC=BC1CC(C)C(C)CN1[O-]
InChIInChI=1S/C8H15BNO/c1-6-4-8(9-3)10(11)5-7(6)2/h6-8H,3-5H2,1-2H3/q-1
InChIKeyGHBXIJVRWCKVNF-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.03
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 101244990
3,4-dimethylpyrrolidine-1-sulfonyl iodide
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ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
1,2-dimethylcyclopropane;propane
CID 143337919
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
(3R,4R)-3,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 86276442
cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane
CID 89002807
3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 130719606
(3R,4S)-3,4-dimethylpiperidine-1-sulfonamide
CID 45080623
2,5-dimethyl-1-oxidopiperidine
CID 163437717

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane?
The IUPAC name of (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane (CID 163533265) is (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane.
What is the SMILES notation for (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane?
The canonical SMILES for (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane is C=BC1CC(C)C(C)CN1[O-].
What is the InChIKey of (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane?
The InChIKey is GHBXIJVRWCKVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BNO/c1-6-4-8(9-3)10(11)5-7(6)2/h6-8H,3-5H2,1-2H3/q-1.
What are the key properties of (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane?
(4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane has a molecular weight of 152.03 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1-oxidopiperidin-2-yl)-methylideneborane is sourced from PubChem (CID 163533265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).