[3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid

C16H26BNO3 — CID 83044828

IUPAC[3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid
SMILESCCCC1CCCCN1CCOc1cccc(B(O)O)c1
InChIInChI=1S/C16H26BNO3/c1-2-6-15-8-3-4-10-18(15)11-12-21-16-9-5-7-14(13-16)17(19)20/h5,7,9,13,15,19-20H,2-4,6,8,10-12H2,1H3
InChIKeyLLCUEHJCMBUGLO-UHFFFAOYSA-N
MW291.20 g/mol
LogP1.40
Rot. Bonds7

About [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid

[3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid (PubChem CID 83044828) has the molecular formula C16H26BNO3 and a molecular weight of 291.20 g/mol. Its IUPAC name is [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid
PubChem CID83044828
Molecular FormulaC16H26BNO3
Molecular Weight291.20 g/mol
Exact Mass291.20
IUPAC Name[3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid
SMILESCCCC1CCCCN1CCOc1cccc(B(O)O)c1
InChIInChI=1S/C16H26BNO3/c1-2-6-15-8-3-4-10-18(15)11-12-21-16-9-5-7-14(13-16)17(19)20/h5,7,9,13,15,19-20H,2-4,6,8,10-12H2,1H3
InChIKeyLLCUEHJCMBUGLO-UHFFFAOYSA-N
XLogP1.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(2,4-dimethyl-1,4-diazepan-1-yl)ethoxy]phenyl]boronic acid
CID 114087203
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
[3-(2-cyclopentyloxyethoxy)phenyl]boronic acid
CID 54971026
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]boronic acid
CID 79183713
[3-[2-(cycloheptylmethoxy)ethoxy]phenyl]boronic acid
CID 114248720
[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid
CID 62383023
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
(3-hexoxyphenyl)boronic acid
CID 43145336
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
[3-[2-(4-ethyl-4-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 63159555

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid?
The IUPAC name of [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid (CID 83044828) is [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid.
What is the SMILES notation for [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid?
The canonical SMILES for [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid is CCCC1CCCCN1CCOc1cccc(B(O)O)c1.
What is the InChIKey of [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid?
The InChIKey is LLCUEHJCMBUGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BNO3/c1-2-6-15-8-3-4-10-18(15)11-12-21-16-9-5-7-14(13-16)17(19)20/h5,7,9,13,15,19-20H,2-4,6,8,10-12H2,1H3.
What are the key properties of [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid?
[3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid has a molecular weight of 291.20 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid is sourced from PubChem (CID 83044828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).