1-(3-chloropropyl)-4-piperazin-2-ylpiperazine

C11H23ClN4 — CID 173235999

IUPAC1-(3-chloropropyl)-4-piperazin-2-ylpiperazine
SMILESClCCCN1CCN(C2CNCCN2)CC1
InChIInChI=1S/C11H23ClN4/c12-2-1-5-15-6-8-16(9-7-15)11-10-13-3-4-14-11/h11,13-14H,1-10H2
InChIKeyABWDDUKSFFKLKL-UHFFFAOYSA-N
MW246.79 g/mol
LogP-0.25
Rot. Bonds4

About 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine

1-(3-chloropropyl)-4-piperazin-2-ylpiperazine (PubChem CID 173235999) has the molecular formula C11H23ClN4 and a molecular weight of 246.79 g/mol. Its IUPAC name is 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-chloropropyl)-4-piperazin-2-ylpiperazine
PubChem CID173235999
Molecular FormulaC11H23ClN4
Molecular Weight246.79 g/mol
Exact Mass246.16
IUPAC Name1-(3-chloropropyl)-4-piperazin-2-ylpiperazine
SMILESClCCCN1CCN(C2CNCCN2)CC1
InChIInChI=1S/C11H23ClN4/c12-2-1-5-15-6-8-16(9-7-15)11-10-13-3-4-14-11/h11,13-14H,1-10H2
InChIKeyABWDDUKSFFKLKL-UHFFFAOYSA-N
XLogP-0.25
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.79
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chloropropyl)-4-piperazin-2-ylpiperazine?
The IUPAC name of 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine (CID 173235999) is 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine.
What is the SMILES notation for 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine?
The canonical SMILES for 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine is ClCCCN1CCN(C2CNCCN2)CC1.
What is the InChIKey of 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine?
The InChIKey is ABWDDUKSFFKLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN4/c12-2-1-5-15-6-8-16(9-7-15)11-10-13-3-4-14-11/h11,13-14H,1-10H2.
What are the key properties of 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine?
1-(3-chloropropyl)-4-piperazin-2-ylpiperazine has a molecular weight of 246.79 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-4-piperazin-2-ylpiperazine is sourced from PubChem (CID 173235999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).