1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine

C9H16Cl2N2 — CID 131041769

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine
SMILESCN1CCN(CC2CC2(Cl)Cl)CC1
InChIInChI=1S/C9H16Cl2N2/c1-12-2-4-13(5-3-12)7-8-6-9(8,10)11/h8H,2-7H2,1H3
InChIKeyXKYGRRKEBBOFHZ-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.43
Rot. Bonds2

About 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine

1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine (PubChem CID 131041769) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine
PubChem CID131041769
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine
SMILESCN1CCN(CC2CC2(Cl)Cl)CC1
InChIInChI=1S/C9H16Cl2N2/c1-12-2-4-13(5-3-12)7-8-6-9(8,10)11/h8H,2-7H2,1H3
InChIKeyXKYGRRKEBBOFHZ-UHFFFAOYSA-N
XLogP1.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine (CID 131041769) is 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine is CN1CCN(CC2CC2(Cl)Cl)CC1.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine?
The InChIKey is XKYGRRKEBBOFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2N2/c1-12-2-4-13(5-3-12)7-8-6-9(8,10)11/h8H,2-7H2,1H3.
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine?
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine has a molecular weight of 223.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 131041769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).