[2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid

C19H24BNO2 — CID 58724375

IUPAC[2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid
SMILESCB(O)N1C(CO)CC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C19H24BNO2/c1-20(23)21-18(14-22)12-17(15-8-4-2-5-9-15)13-19(21)16-10-6-3-7-11-16/h2-11,17-19,22-23H,12-14H2,1H3
InChIKeyRYZWNRBENCHNFW-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.08
Rot. Bonds4

About [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid

[2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid (PubChem CID 58724375) has the molecular formula C19H24BNO2 and a molecular weight of 309.22 g/mol. Its IUPAC name is [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid
PubChem CID58724375
Molecular FormulaC19H24BNO2
Molecular Weight309.22 g/mol
Exact Mass309.19
IUPAC Name[2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid
SMILESCB(O)N1C(CO)CC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C19H24BNO2/c1-20(23)21-18(14-22)12-17(15-8-4-2-5-9-15)13-19(21)16-10-6-3-7-11-16/h2-11,17-19,22-23H,12-14H2,1H3
InChIKeyRYZWNRBENCHNFW-UHFFFAOYSA-N
XLogP3.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.08
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 [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid?
The IUPAC name of [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid (CID 58724375) is [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid.
What is the SMILES notation for [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid?
The canonical SMILES for [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid is CB(O)N1C(CO)CC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid?
The InChIKey is RYZWNRBENCHNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO2/c1-20(23)21-18(14-22)12-17(15-8-4-2-5-9-15)13-19(21)16-10-6-3-7-11-16/h2-11,17-19,22-23H,12-14H2,1H3.
What are the key properties of [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid?
[2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid has a molecular weight of 309.22 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-4,6-diphenylpiperidin-1-yl]-methylborinic acid is sourced from PubChem (CID 58724375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).