1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione

C11H18BrNO2 — CID 79507124

IUPAC1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione
SMILESCCC(CBr)CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C11H18BrNO2/c1-3-9(6-12)7-13-10(14)4-8(2)5-11(13)15/h8-9H,3-7H2,1-2H3
InChIKeyZZTNVKXCXODVQN-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione

1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione (PubChem CID 79507124) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione
PubChem CID79507124
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione
SMILESCCC(CBr)CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C11H18BrNO2/c1-3-9(6-12)7-13-10(14)4-8(2)5-11(13)15/h8-9H,3-7H2,1-2H3
InChIKeyZZTNVKXCXODVQN-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione (CID 79507124) is 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione is CCC(CBr)CN1C(=O)CC(C)CC1=O.
What is the InChIKey of 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione?
The InChIKey is ZZTNVKXCXODVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-3-9(6-12)7-13-10(14)4-8(2)5-11(13)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione?
1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione has a molecular weight of 276.17 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79507124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).