[4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid

C14H20BNO2 — CID 174793184

IUPAC[4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid
SMILESC=Cc1ccc(B(O)O)c(CN2CCCCC2)c1
InChIInChI=1S/C14H20BNO2/c1-2-12-6-7-14(15(17)18)13(10-12)11-16-8-4-3-5-9-16/h2,6-7,10,17-18H,1,3-5,8-9,11H2
InChIKeyRZKHVDWBGSWJKK-UHFFFAOYSA-N
MW245.13 g/mol
LogP1.00
Rot. Bonds4

About [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid

[4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid (PubChem CID 174793184) has the molecular formula C14H20BNO2 and a molecular weight of 245.13 g/mol. Its IUPAC name is [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid
PubChem CID174793184
Molecular FormulaC14H20BNO2
Molecular Weight245.13 g/mol
Exact Mass245.16
IUPAC Name[4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid
SMILESC=Cc1ccc(B(O)O)c(CN2CCCCC2)c1
InChIInChI=1S/C14H20BNO2/c1-2-12-6-7-14(15(17)18)13(10-12)11-16-8-4-3-5-9-16/h2,6-7,10,17-18H,1,3-5,8-9,11H2
InChIKeyRZKHVDWBGSWJKK-UHFFFAOYSA-N
XLogP1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 51.00
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

[2-(azepan-1-ylmethyl)-4-methoxyphenyl]boronic acid
CID 65323323
[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenyl]boronic acid
CID 58734126
4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
CID 46240407
[2-(azepan-1-ylmethyl)-5-fluorophenyl]boronic acid
CID 54970471
[2-(azetidin-1-ylmethyl)phenyl]boronic acid
CID 175402198
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid
CID 75485818
[2-[(4,4-dimethylazepan-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327541
3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enoic acid
CID 4195981
[2-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327480
1-[(4-ethenylphenyl)methyl]-4-methyl-1,4-diazepane
CID 166880014
[4-(piperidin-1-ylmethyl)phenyl]boronic acid;hydrochloride
CID 56773619
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160

Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid?
The IUPAC name of [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid (CID 174793184) is [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid.
What is the SMILES notation for [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid?
The canonical SMILES for [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid is C=Cc1ccc(B(O)O)c(CN2CCCCC2)c1.
What is the InChIKey of [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid?
The InChIKey is RZKHVDWBGSWJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BNO2/c1-2-12-6-7-14(15(17)18)13(10-12)11-16-8-4-3-5-9-16/h2,6-7,10,17-18H,1,3-5,8-9,11H2.
What are the key properties of [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid?
[4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid has a molecular weight of 245.13 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethenyl-2-(piperidin-1-ylmethyl)phenyl]boronic acid is sourced from PubChem (CID 174793184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).