[4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid

C15H24BNO4 — CID 63972546

IUPAC[4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid
SMILESCOCC1CCN(CCOc2ccc(B(O)O)cc2)CC1
InChIInChI=1S/C15H24BNO4/c1-20-12-13-6-8-17(9-7-13)10-11-21-15-4-2-14(3-5-15)16(18)19/h2-5,13,18-19H,6-12H2,1H3
InChIKeyZRTDQEUHWANYJW-UHFFFAOYSA-N
MW293.17 g/mol
LogP0.10
Rot. Bonds7

About [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid

[4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid (PubChem CID 63972546) has the molecular formula C15H24BNO4 and a molecular weight of 293.17 g/mol. Its IUPAC name is [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid
PubChem CID63972546
Molecular FormulaC15H24BNO4
Molecular Weight293.17 g/mol
Exact Mass293.18
IUPAC Name[4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid
SMILESCOCC1CCN(CCOc2ccc(B(O)O)cc2)CC1
InChIInChI=1S/C15H24BNO4/c1-20-12-13-6-8-17(9-7-13)10-11-21-15-4-2-14(3-5-15)16(18)19/h2-5,13,18-19H,6-12H2,1H3
InChIKeyZRTDQEUHWANYJW-UHFFFAOYSA-N
XLogP0.10
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]phenyl]boronic acid
CID 63164732
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 63971546
[4-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]phenyl]boronic acid
CID 63634672
[4-[2-(4-ethyl-4-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 63159556
4-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzoic acid
CID 64582622
[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]boronic acid
CID 63972357
[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 107394501
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid?
The IUPAC name of [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid (CID 63972546) is [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid.
What is the SMILES notation for [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid?
The canonical SMILES for [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid is COCC1CCN(CCOc2ccc(B(O)O)cc2)CC1.
What is the InChIKey of [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid?
The InChIKey is ZRTDQEUHWANYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BNO4/c1-20-12-13-6-8-17(9-7-13)10-11-21-15-4-2-14(3-5-15)16(18)19/h2-5,13,18-19H,6-12H2,1H3.
What are the key properties of [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid?
[4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid has a molecular weight of 293.17 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid is sourced from PubChem (CID 63972546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).