(4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone

C12H20BrNO — CID 130533731

IUPAC(4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCC(Br)C(C)(C)C1
InChIInChI=1S/C12H20BrNO/c1-8-6-9(8)11(15)14-5-4-10(13)12(2,3)7-14/h8-10H,4-7H2,1-3H3
InChIKeyIJLKNWXSBAZKBZ-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.66
Rot. Bonds1

About (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone

(4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone (PubChem CID 130533731) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
PubChem CID130533731
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name(4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCC(Br)C(C)(C)C1
InChIInChI=1S/C12H20BrNO/c1-8-6-9(8)11(15)14-5-4-10(13)12(2,3)7-14/h8-10H,4-7H2,1-3H3
InChIKeyIJLKNWXSBAZKBZ-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 112747394
(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130679550
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 80661058
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 102706831
(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
CID 130654803
1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112747391
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
CID 80552587
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone?
The IUPAC name of (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone (CID 130533731) is (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone.
What is the SMILES notation for (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone?
The canonical SMILES for (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CCC(Br)C(C)(C)C1.
What is the InChIKey of (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone?
The InChIKey is IJLKNWXSBAZKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-8-6-9(8)11(15)14-5-4-10(13)12(2,3)7-14/h8-10H,4-7H2,1-3H3.
What are the key properties of (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone?
(4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone has a molecular weight of 274.20 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,3-dimethylpiperidin-1-yl)-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 130533731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).