[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid

C12H17BFNO2 — CID 75485818

IUPAC[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid
SMILESOB(O)c1ccc(F)c(CN2CCCCC2)c1
InChIInChI=1S/C12H17BFNO2/c14-12-5-4-11(13(16)17)8-10(12)9-15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyNZFHBCMJZQKZDN-UHFFFAOYSA-N
MW237.08 g/mol
LogP0.49
Rot. Bonds3

About [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid

[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid (PubChem CID 75485818) has the molecular formula C12H17BFNO2 and a molecular weight of 237.08 g/mol. Its IUPAC name is [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid
PubChem CID75485818
Molecular FormulaC12H17BFNO2
Molecular Weight237.08 g/mol
Exact Mass237.13
IUPAC Name[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid
SMILESOB(O)c1ccc(F)c(CN2CCCCC2)c1
InChIInChI=1S/C12H17BFNO2/c14-12-5-4-11(13(16)17)8-10(12)9-15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyNZFHBCMJZQKZDN-UHFFFAOYSA-N
XLogP0.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 50.49
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

[4-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]boronic acid
CID 91758879
[2-(azepan-1-ylmethyl)-5-fluorophenyl]boronic acid
CID 54970471
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid
CID 63158975
[4-(piperidin-1-ylmethyl)phenyl]boronic acid;hydrochloride
CID 56773619
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid
CID 91759296
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenyl]boronic acid
CID 58734126
[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 107394509
[2-(azetidin-1-ylmethyl)phenyl]boronic acid
CID 175402198
[2-(azepan-1-ylmethyl)-4-methoxyphenyl]boronic acid
CID 65323323

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid?
The IUPAC name of [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid (CID 75485818) is [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid.
What is the SMILES notation for [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid?
The canonical SMILES for [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid is OB(O)c1ccc(F)c(CN2CCCCC2)c1.
What is the InChIKey of [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid?
The InChIKey is NZFHBCMJZQKZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BFNO2/c14-12-5-4-11(13(16)17)8-10(12)9-15-6-2-1-3-7-15/h4-5,8,16-17H,1-3,6-7,9H2.
What are the key properties of [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid?
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid has a molecular weight of 237.08 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid is sourced from PubChem (CID 75485818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).