[2-(piperidine-1-carbonyl)phenyl]boronic acid

C12H16BNO3 — CID 90477220

IUPAC[2-(piperidine-1-carbonyl)phenyl]boronic acid
SMILESO=C(c1ccccc1B(O)O)N1CCCCC1
InChIInChI=1S/C12H16BNO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7,16-17H,1,4-5,8-9H2
InChIKeyNZLRMOMHBWMLCA-UHFFFAOYSA-N
MW233.08 g/mol
LogP-0.01
Rot. Bonds2

About [2-(piperidine-1-carbonyl)phenyl]boronic acid

[2-(piperidine-1-carbonyl)phenyl]boronic acid (PubChem CID 90477220) has the molecular formula C12H16BNO3 and a molecular weight of 233.08 g/mol. Its IUPAC name is [2-(piperidine-1-carbonyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(piperidine-1-carbonyl)phenyl]boronic acid
PubChem CID90477220
Molecular FormulaC12H16BNO3
Molecular Weight233.08 g/mol
Exact Mass233.12
IUPAC Name[2-(piperidine-1-carbonyl)phenyl]boronic acid
SMILESO=C(c1ccccc1B(O)O)N1CCCCC1
InChIInChI=1S/C12H16BNO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7,16-17H,1,4-5,8-9H2
InChIKeyNZLRMOMHBWMLCA-UHFFFAOYSA-N
XLogP-0.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 5-0.01
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

azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(piperidine-1-carbonyl)phenolate
CID 101121314
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone
CID 101009068
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
1-[4-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014569

Frequently Asked Questions

What is the IUPAC name of [2-(piperidine-1-carbonyl)phenyl]boronic acid?
The IUPAC name of [2-(piperidine-1-carbonyl)phenyl]boronic acid (CID 90477220) is [2-(piperidine-1-carbonyl)phenyl]boronic acid.
What is the SMILES notation for [2-(piperidine-1-carbonyl)phenyl]boronic acid?
The canonical SMILES for [2-(piperidine-1-carbonyl)phenyl]boronic acid is O=C(c1ccccc1B(O)O)N1CCCCC1.
What is the InChIKey of [2-(piperidine-1-carbonyl)phenyl]boronic acid?
The InChIKey is NZLRMOMHBWMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BNO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7,16-17H,1,4-5,8-9H2.
What are the key properties of [2-(piperidine-1-carbonyl)phenyl]boronic acid?
[2-(piperidine-1-carbonyl)phenyl]boronic acid has a molecular weight of 233.08 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidine-1-carbonyl)phenyl]boronic acid is sourced from PubChem (CID 90477220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).