(2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

C10H16Br2N2O — CID 5150607

IUPAC(2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CC2(Br)Br)CC1
InChIInChI=1S/C10H16Br2N2O/c1-9(7-10(9,11)12)8(15)14-5-3-13(2)4-6-14/h3-7H2,1-2H3
InChIKeyRTOMYHZKVFRGDZ-UHFFFAOYSA-N
MW340.06 g/mol
LogP1.66
Rot. Bonds1

About (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

(2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 5150607) has the molecular formula C10H16Br2N2O and a molecular weight of 340.06 g/mol. Its IUPAC name is (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID5150607
Molecular FormulaC10H16Br2N2O
Molecular Weight340.06 g/mol
Exact Mass337.96
IUPAC Name(2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CC2(Br)Br)CC1
InChIInChI=1S/C10H16Br2N2O/c1-9(7-10(9,11)12)8(15)14-5-3-13(2)4-6-14/h3-7H2,1-2H3
InChIKeyRTOMYHZKVFRGDZ-UHFFFAOYSA-N
XLogP1.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (CID 5150607) is (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(C)CC2(Br)Br)CC1.
What is the InChIKey of (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RTOMYHZKVFRGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2O/c1-9(7-10(9,11)12)8(15)14-5-3-13(2)4-6-14/h3-7H2,1-2H3.
What are the key properties of (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
(2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 340.06 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dibromo-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 5150607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).