(3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid

C7H16BNO2 — CID 18713006

IUPAC(3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid
SMILESCB(O)N1CC(C)CC(O)C1
InChIInChI=1S/C7H16BNO2/c1-6-3-7(10)5-9(4-6)8(2)11/h6-7,10-11H,3-5H2,1-2H3
InChIKeyAHIQQKHPGJXHKJ-UHFFFAOYSA-N
MW157.02 g/mol
LogP-0.20
Rot. Bonds1

About (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid

(3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid (PubChem CID 18713006) has the molecular formula C7H16BNO2 and a molecular weight of 157.02 g/mol. Its IUPAC name is (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid.

Molecular Properties

Compound Name(3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid
PubChem CID18713006
Molecular FormulaC7H16BNO2
Molecular Weight157.02 g/mol
Exact Mass157.13
IUPAC Name(3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid
SMILESCB(O)N1CC(C)CC(O)C1
InChIInChI=1S/C7H16BNO2/c1-6-3-7(10)5-9(4-6)8(2)11/h6-7,10-11H,3-5H2,1-2H3
InChIKeyAHIQQKHPGJXHKJ-UHFFFAOYSA-N
XLogP-0.20
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.02
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
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 (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid?
The IUPAC name of (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid (CID 18713006) is (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid.
What is the SMILES notation for (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid?
The canonical SMILES for (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid is CB(O)N1CC(C)CC(O)C1.
What is the InChIKey of (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid?
The InChIKey is AHIQQKHPGJXHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BNO2/c1-6-3-7(10)5-9(4-6)8(2)11/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid?
(3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid has a molecular weight of 157.02 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid is sourced from PubChem (CID 18713006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).