(2,6-dimethylpiperidin-1-yl)-dimethylborane

C9H20BN — CID 169243459

IUPAC(2,6-dimethylpiperidin-1-yl)-dimethylborane
SMILESCB(C)N1C(C)CCCC1C
InChIInChI=1S/C9H20BN/c1-8-6-5-7-9(2)11(8)10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyAXEJDUAQHKICSI-UHFFFAOYSA-N
MW153.08 g/mol
LogP2.50
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-dimethylborane

(2,6-dimethylpiperidin-1-yl)-dimethylborane (PubChem CID 169243459) has the molecular formula C9H20BN and a molecular weight of 153.08 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-dimethylborane.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-dimethylborane
PubChem CID169243459
Molecular FormulaC9H20BN
Molecular Weight153.08 g/mol
Exact Mass153.17
IUPAC Name(2,6-dimethylpiperidin-1-yl)-dimethylborane
SMILESCB(C)N1C(C)CCCC1C
InChIInChI=1S/C9H20BN/c1-8-6-5-7-9(2)11(8)10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyAXEJDUAQHKICSI-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
bromo-(2,6-dimethylpiperidin-1-yl)silane
CID 140711295
(2R,7S)-1,2,7-trimethylazepane
CID 142119830
methyl-(2-methylpyrrolidin-1-yl)borinic acid
CID 158759430
2,6-dimethylpiperidine-1-carbaldehyde
CID 4643970
dibromo-bis(2,6-dimethylpiperidin-1-yl)silane
CID 140711240
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
(2,6-dimethylpiperidin-1-yl)-methylsilylsilane
CID 153439454
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine
CID 102580844
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 104967185

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-dimethylborane?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-dimethylborane (CID 169243459) is (2,6-dimethylpiperidin-1-yl)-dimethylborane.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-dimethylborane?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-dimethylborane is CB(C)N1C(C)CCCC1C.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-dimethylborane?
The InChIKey is AXEJDUAQHKICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BN/c1-8-6-5-7-9(2)11(8)10(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-dimethylborane?
(2,6-dimethylpiperidin-1-yl)-dimethylborane has a molecular weight of 153.08 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-dimethylborane is sourced from PubChem (CID 169243459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).