CID 174088623

C15H23BNO2 — CID 174088623

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1cccc2c1CCNC2
InChIInChI=1S/C15H23BNO2/c1-14(2,18)15(3,4)19-16-13-7-5-6-11-10-17-9-8-12(11)13/h5-7,17-18H,8-10H2,1-4H3
InChIKeyUMDWPBKQFQKOFB-UHFFFAOYSA-N
MW260.17 g/mol
LogP1.14
Rot. Bonds4

About CID 174088623

CID 174088623 (PubChem CID 174088623) has the molecular formula C15H23BNO2 and a molecular weight of 260.17 g/mol.

Molecular Properties

Compound NameCID 174088623
PubChem CID174088623
Molecular FormulaC15H23BNO2
Molecular Weight260.17 g/mol
Exact Mass260.18
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1cccc2c1CCNC2
InChIInChI=1S/C15H23BNO2/c1-14(2,18)15(3,4)19-16-13-7-5-6-11-10-17-9-8-12(11)13/h5-7,17-18H,8-10H2,1-4H3
InChIKeyUMDWPBKQFQKOFB-UHFFFAOYSA-N
XLogP1.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-{[3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperidin-1-ium chloride
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2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 86767609
2-Methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol
CID 105474706
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 16102685
Tetrahydroisoquinoline-water
CID 129693992
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 123167486
6-Fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 155920981
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 176043502
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
CID 176912780
[2-[(Cyclohexylamino)methyl]-5-fluorophenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
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Frequently Asked Questions

What is the IUPAC name of CID 174088623?
The IUPAC name of CID 174088623 (CID 174088623) is not available.
What is the SMILES notation for CID 174088623?
The canonical SMILES for CID 174088623 is CC(C)(O)C(C)(C)O[B]c1cccc2c1CCNC2.
What is the InChIKey of CID 174088623?
The InChIKey is UMDWPBKQFQKOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BNO2/c1-14(2,18)15(3,4)19-16-13-7-5-6-11-10-17-9-8-12(11)13/h5-7,17-18H,8-10H2,1-4H3.
What are the key properties of CID 174088623?
CID 174088623 has a molecular weight of 260.17 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174088623 is sourced from PubChem (CID 174088623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).