1,1-dichloropropane;piperazine

C7H16Cl2N2 — CID 158166114

IUPAC1,1-dichloropropane;piperazine
SMILESC1CNCCN1.CCC(Cl)Cl
InChIInChI=1S/C4H10N2.C3H6Cl2/c1-2-6-4-3-5-1;1-2-3(4)5/h5-6H,1-4H2;3H,2H2,1H3
InChIKeyFWWAMNYRJJLVQY-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.38
Rot. Bonds1

About 1,1-dichloropropane;piperazine

1,1-dichloropropane;piperazine (PubChem CID 158166114) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 1,1-dichloropropane;piperazine.

Molecular Properties

Compound Name1,1-dichloropropane;piperazine
PubChem CID158166114
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name1,1-dichloropropane;piperazine
SMILESC1CNCCN1.CCC(Cl)Cl
InChIInChI=1S/C4H10N2.C3H6Cl2/c1-2-6-4-3-5-1;1-2-3(4)5/h5-6H,1-4H2;3H,2H2,1H3
InChIKeyFWWAMNYRJJLVQY-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
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 1,1-dichloropropane;piperazine?
The IUPAC name of 1,1-dichloropropane;piperazine (CID 158166114) is 1,1-dichloropropane;piperazine.
What is the SMILES notation for 1,1-dichloropropane;piperazine?
The canonical SMILES for 1,1-dichloropropane;piperazine is C1CNCCN1.CCC(Cl)Cl.
What is the InChIKey of 1,1-dichloropropane;piperazine?
The InChIKey is FWWAMNYRJJLVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H6Cl2/c1-2-6-4-3-5-1;1-2-3(4)5/h5-6H,1-4H2;3H,2H2,1H3.
What are the key properties of 1,1-dichloropropane;piperazine?
1,1-dichloropropane;piperazine has a molecular weight of 199.12 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloropropane;piperazine is sourced from PubChem (CID 158166114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).