methyl-N-piperidin-4-ylboronamidic acid

C6H15BN2O — CID 20668610

IUPACmethyl-N-piperidin-4-ylboronamidic acid
SMILESCB(O)NC1CCNCC1
InChIInChI=1S/C6H15BN2O/c1-7(10)9-6-2-4-8-5-3-6/h6,8-10H,2-5H2,1H3
InChIKeyJHFFNGKQWNYJQM-UHFFFAOYSA-N
MW142.01 g/mol
LogP-0.56
Rot. Bonds2

About methyl-N-piperidin-4-ylboronamidic acid

methyl-N-piperidin-4-ylboronamidic acid (PubChem CID 20668610) has the molecular formula C6H15BN2O and a molecular weight of 142.01 g/mol. Its IUPAC name is methyl-N-piperidin-4-ylboronamidic acid.

Molecular Properties

Compound Namemethyl-N-piperidin-4-ylboronamidic acid
PubChem CID20668610
Molecular FormulaC6H15BN2O
Molecular Weight142.01 g/mol
Exact Mass142.13
IUPAC Namemethyl-N-piperidin-4-ylboronamidic acid
SMILESCB(O)NC1CCNCC1
InChIInChI=1S/C6H15BN2O/c1-7(10)9-6-2-4-8-5-3-6/h6,8-10H,2-5H2,1H3
InChIKeyJHFFNGKQWNYJQM-UHFFFAOYSA-N
XLogP-0.56
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.01
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-N-piperidin-4-ylboronamidic acid?
The IUPAC name of methyl-N-piperidin-4-ylboronamidic acid (CID 20668610) is methyl-N-piperidin-4-ylboronamidic acid.
What is the SMILES notation for methyl-N-piperidin-4-ylboronamidic acid?
The canonical SMILES for methyl-N-piperidin-4-ylboronamidic acid is CB(O)NC1CCNCC1.
What is the InChIKey of methyl-N-piperidin-4-ylboronamidic acid?
The InChIKey is JHFFNGKQWNYJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BN2O/c1-7(10)9-6-2-4-8-5-3-6/h6,8-10H,2-5H2,1H3.
What are the key properties of methyl-N-piperidin-4-ylboronamidic acid?
methyl-N-piperidin-4-ylboronamidic acid has a molecular weight of 142.01 g/mol, XLogP of -0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-N-piperidin-4-ylboronamidic acid is sourced from PubChem (CID 20668610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).