[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid

C14H21BFNO3 — CID 107394509

IUPAC[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid
SMILESCOC1(C)CCCN(Cc2ccc(B(O)O)cc2F)C1
InChIInChI=1S/C14H21BFNO3/c1-14(20-2)6-3-7-17(10-14)9-11-4-5-12(15(18)19)8-13(11)16/h4-5,8,18-19H,3,6-7,9-10H2,1-2H3
InChIKeyLPKVDHWDRCZASH-UHFFFAOYSA-N
MW281.14 g/mol
LogP0.51
Rot. Bonds4

About [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid

[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid (PubChem CID 107394509) has the molecular formula C14H21BFNO3 and a molecular weight of 281.14 g/mol. Its IUPAC name is [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid.

Molecular Properties

Compound Name[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid
PubChem CID107394509
Molecular FormulaC14H21BFNO3
Molecular Weight281.14 g/mol
Exact Mass281.16
IUPAC Name[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid
SMILESCOC1(C)CCCN(Cc2ccc(B(O)O)cc2F)C1
InChIInChI=1S/C14H21BFNO3/c1-14(20-2)6-3-7-17(10-14)9-11-4-5-12(15(18)19)8-13(11)16/h4-5,8,18-19H,3,6-7,9-10H2,1-2H3
InChIKeyLPKVDHWDRCZASH-UHFFFAOYSA-N
XLogP0.51
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
[4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid
CID 63158975
[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 107394501
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid
CID 91759296
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 107393456
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 107395848
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 107392935
[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107390827
3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline
CID 107395599
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
CID 107393650
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid
CID 75485818
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid?
The IUPAC name of [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid (CID 107394509) is [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid.
What is the SMILES notation for [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid?
The canonical SMILES for [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid is COC1(C)CCCN(Cc2ccc(B(O)O)cc2F)C1.
What is the InChIKey of [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid?
The InChIKey is LPKVDHWDRCZASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BFNO3/c1-14(20-2)6-3-7-17(10-14)9-11-4-5-12(15(18)19)8-13(11)16/h4-5,8,18-19H,3,6-7,9-10H2,1-2H3.
What are the key properties of [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid?
[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid has a molecular weight of 281.14 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid is sourced from PubChem (CID 107394509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).