2-(5-bromopiperidin-2-yl)oxyethanol

C7H14BrNO2 — CID 141319184

IUPAC2-(5-bromopiperidin-2-yl)oxyethanol
SMILESOCCOC1CCC(Br)CN1
InChIInChI=1S/C7H14BrNO2/c8-6-1-2-7(9-5-6)11-4-3-10/h6-7,9-10H,1-5H2
InChIKeyKZLYUUIQRAKAHX-UHFFFAOYSA-N
MW224.10 g/mol
LogP0.47
Rot. Bonds3

About 2-(5-bromopiperidin-2-yl)oxyethanol

2-(5-bromopiperidin-2-yl)oxyethanol (PubChem CID 141319184) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-(5-bromopiperidin-2-yl)oxyethanol.

Molecular Properties

Compound Name2-(5-bromopiperidin-2-yl)oxyethanol
PubChem CID141319184
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Name2-(5-bromopiperidin-2-yl)oxyethanol
SMILESOCCOC1CCC(Br)CN1
InChIInChI=1S/C7H14BrNO2/c8-6-1-2-7(9-5-6)11-4-3-10/h6-7,9-10H,1-5H2
InChIKeyKZLYUUIQRAKAHX-UHFFFAOYSA-N
XLogP0.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
CID 155269084
2-(aziridin-2-yloxy)ethanamine
CID 59180666
2-piperidin-3-yloxyethanol
CID 43197065
2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135
trans-(1S,2S)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]cyclohexan-1-ol
CID 102732265
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(2-methylcyclopropyl)oxyethanol
CID 130122746
2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol
CID 54219899
2-(2-cyclopropyloxyethoxy)ethanol
CID 57000594
2-(cyclohexylmethoxy)-5-methylpiperidine
CID 164775427
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[4-(dimethylamino)cyclohexyl]oxyethanol
CID 66563849

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopiperidin-2-yl)oxyethanol?
The IUPAC name of 2-(5-bromopiperidin-2-yl)oxyethanol (CID 141319184) is 2-(5-bromopiperidin-2-yl)oxyethanol.
What is the SMILES notation for 2-(5-bromopiperidin-2-yl)oxyethanol?
The canonical SMILES for 2-(5-bromopiperidin-2-yl)oxyethanol is OCCOC1CCC(Br)CN1.
What is the InChIKey of 2-(5-bromopiperidin-2-yl)oxyethanol?
The InChIKey is KZLYUUIQRAKAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2/c8-6-1-2-7(9-5-6)11-4-3-10/h6-7,9-10H,1-5H2.
What are the key properties of 2-(5-bromopiperidin-2-yl)oxyethanol?
2-(5-bromopiperidin-2-yl)oxyethanol has a molecular weight of 224.10 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopiperidin-2-yl)oxyethanol is sourced from PubChem (CID 141319184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).