methyl-(3-methylpiperidin-1-yl)borinic acid

C7H16BNO — CID 18713308

IUPACmethyl-(3-methylpiperidin-1-yl)borinic acid
SMILESCB(O)N1CCCC(C)C1
InChIInChI=1S/C7H16BNO/c1-7-4-3-5-9(6-7)8(2)10/h7,10H,3-6H2,1-2H3
InChIKeyFNSKDWSBZUSKBN-UHFFFAOYSA-N
MW141.02 g/mol
LogP0.83
Rot. Bonds1

About methyl-(3-methylpiperidin-1-yl)borinic acid

methyl-(3-methylpiperidin-1-yl)borinic acid (PubChem CID 18713308) has the molecular formula C7H16BNO and a molecular weight of 141.02 g/mol. Its IUPAC name is methyl-(3-methylpiperidin-1-yl)borinic acid.

Molecular Properties

Compound Namemethyl-(3-methylpiperidin-1-yl)borinic acid
PubChem CID18713308
Molecular FormulaC7H16BNO
Molecular Weight141.02 g/mol
Exact Mass141.13
IUPAC Namemethyl-(3-methylpiperidin-1-yl)borinic acid
SMILESCB(O)N1CCCC(C)C1
InChIInChI=1S/C7H16BNO/c1-7-4-3-5-9(6-7)8(2)10/h7,10H,3-6H2,1-2H3
InChIKeyFNSKDWSBZUSKBN-UHFFFAOYSA-N
XLogP0.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.02
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(3-methylpiperidin-1-yl)borinic acid?
The IUPAC name of methyl-(3-methylpiperidin-1-yl)borinic acid (CID 18713308) is methyl-(3-methylpiperidin-1-yl)borinic acid.
What is the SMILES notation for methyl-(3-methylpiperidin-1-yl)borinic acid?
The canonical SMILES for methyl-(3-methylpiperidin-1-yl)borinic acid is CB(O)N1CCCC(C)C1.
What is the InChIKey of methyl-(3-methylpiperidin-1-yl)borinic acid?
The InChIKey is FNSKDWSBZUSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BNO/c1-7-4-3-5-9(6-7)8(2)10/h7,10H,3-6H2,1-2H3.
What are the key properties of methyl-(3-methylpiperidin-1-yl)borinic acid?
methyl-(3-methylpiperidin-1-yl)borinic acid has a molecular weight of 141.02 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methylpiperidin-1-yl)borinic acid is sourced from PubChem (CID 18713308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).