1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione

C12H18BrNO2 — CID 65008469

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC2(CBr)CC2)C(=O)C1
InChIInChI=1S/C12H18BrNO2/c1-11(2)5-9(15)14(10(16)6-11)8-12(7-13)3-4-12/h3-8H2,1-2H3
InChIKeyDOOMWQCSZVMMEL-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.34
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione

1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 65008469) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID65008469
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CC2(CBr)CC2)C(=O)C1
InChIInChI=1S/C12H18BrNO2/c1-11(2)5-9(15)14(10(16)6-11)8-12(7-13)3-4-12/h3-8H2,1-2H3
InChIKeyDOOMWQCSZVMMEL-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.34
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-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione (CID 65008469) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CC2(CBr)CC2)C(=O)C1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is DOOMWQCSZVMMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-11(2)5-9(15)14(10(16)6-11)8-12(7-13)3-4-12/h3-8H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 288.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 65008469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).