3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one

C11H18BrNO — CID 130729607

IUPAC3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one
SMILESCCC(C1CC1)N1CCCC(Br)C1=O
InChIInChI=1S/C11H18BrNO/c1-2-10(8-5-6-8)13-7-3-4-9(12)11(13)14/h8-10H,2-7H2,1H3
InChIKeyWRLSNXHTZPJQJX-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.56
Rot. Bonds3

About 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one

3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one (PubChem CID 130729607) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one
PubChem CID130729607
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one
SMILESCCC(C1CC1)N1CCCC(Br)C1=O
InChIInChI=1S/C11H18BrNO/c1-2-10(8-5-6-8)13-7-3-4-9(12)11(13)14/h8-10H,2-7H2,1H3
InChIKeyWRLSNXHTZPJQJX-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-bromo-1-hex-1-yn-3-ylpiperidin-2-one
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CID 130647438
1-(1-cyclohexylpropyl)piperidine-2,4-dione
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CID 64566211
3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one?
The IUPAC name of 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one (CID 130729607) is 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one.
What is the SMILES notation for 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one?
The canonical SMILES for 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one is CCC(C1CC1)N1CCCC(Br)C1=O.
What is the InChIKey of 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one?
The InChIKey is WRLSNXHTZPJQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-2-10(8-5-6-8)13-7-3-4-9(12)11(13)14/h8-10H,2-7H2,1H3.
What are the key properties of 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one?
3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one has a molecular weight of 260.17 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one is sourced from PubChem (CID 130729607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).