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

C10H16Cl2N2O — CID 4286728

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1
InChIInChI=1S/C10H16Cl2N2O/c1-9(7-10(9,11)12)8(15)14-5-3-13(2)4-6-14/h3-7H2,1-2H3
InChIKeyVMXLTNKTMYXZLO-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.34
Rot. Bonds1

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

(2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 4286728) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID4286728
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1
InChIInChI=1S/C10H16Cl2N2O/c1-9(7-10(9,11)12)8(15)14-5-3-13(2)4-6-14/h3-7H2,1-2H3
InChIKeyVMXLTNKTMYXZLO-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2,2-dichloro-1-methylcyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 1770365
(2,2-Dichloro-1-methylcyclopropyl)[4-(methylsulfonyl)piperazin-1-yl]methanone
CID 2970240
N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 43020011
2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide
CID 47031210
(2,2-Dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
CID 4117823
(1-Methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 67569223
(4-Ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone
CID 142467328
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 1770361
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 1770362
[(1R)-2,2-dichloro-1-methylcyclopropyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 1770364
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 2712559
[(1R)-2,2-dichloro-1-methylcyclopropyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 2712561

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (CID 4286728) is (2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VMXLTNKTMYXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2O/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-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 251.16 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4286728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).