dichloromethane;1-methylpiperazine

C6H14Cl2N2 — CID 86740651

IUPACdichloromethane;1-methylpiperazine
SMILESCN1CCNCC1.ClCCl
InChIInChI=1S/C5H12N2.CH2Cl2/c1-7-4-2-6-3-5-7;2-1-3/h6H,2-5H2,1H3;1H2
InChIKeyLOXWZIZZYGZKAP-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.94
Rot. Bonds

About dichloromethane;1-methylpiperazine

dichloromethane;1-methylpiperazine (PubChem CID 86740651) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is dichloromethane;1-methylpiperazine.

Molecular Properties

Compound Namedichloromethane;1-methylpiperazine
PubChem CID86740651
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Namedichloromethane;1-methylpiperazine
SMILESCN1CCNCC1.ClCCl
InChIInChI=1S/C5H12N2.CH2Cl2/c1-7-4-2-6-3-5-7;2-1-3/h6H,2-5H2,1H3;1H2
InChIKeyLOXWZIZZYGZKAP-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.94
H-Bond Donors ≤ 51
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 dichloromethane;1-methylpiperazine?
The IUPAC name of dichloromethane;1-methylpiperazine (CID 86740651) is dichloromethane;1-methylpiperazine.
What is the SMILES notation for dichloromethane;1-methylpiperazine?
The canonical SMILES for dichloromethane;1-methylpiperazine is CN1CCNCC1.ClCCl.
What is the InChIKey of dichloromethane;1-methylpiperazine?
The InChIKey is LOXWZIZZYGZKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.CH2Cl2/c1-7-4-2-6-3-5-7;2-1-3/h6H,2-5H2,1H3;1H2.
What are the key properties of dichloromethane;1-methylpiperazine?
dichloromethane;1-methylpiperazine has a molecular weight of 185.10 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;1-methylpiperazine is sourced from PubChem (CID 86740651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).