3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

C10H18BrNO2 — CID 107216510

IUPAC3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCBr)N1CCCC(CCO)C1
InChIInChI=1S/C10H18BrNO2/c11-5-3-10(14)12-6-1-2-9(8-12)4-7-13/h9,13H,1-8H2
InChIKeyGLYSYRYPABRKGF-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.39
Rot. Bonds4

About 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 107216510) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID107216510
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCBr)N1CCCC(CCO)C1
InChIInChI=1S/C10H18BrNO2/c11-5-3-10(14)12-6-1-2-9(8-12)4-7-13/h9,13H,1-8H2
InChIKeyGLYSYRYPABRKGF-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107217060
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one
CID 80669729
2-tert-butylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 55064897
3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107209704
1-[3-(2-bromoethyl)piperidin-1-yl]-2-ethoxyethanone
CID 80669330

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 107216510) is 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is O=C(CCBr)N1CCCC(CCO)C1.
What is the InChIKey of 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GLYSYRYPABRKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c11-5-3-10(14)12-6-1-2-9(8-12)4-7-13/h9,13H,1-8H2.
What are the key properties of 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 264.16 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 107216510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).