1,4-dichloro-2-propylpiperazine

C7H14Cl2N2 — CID 175269651

IUPAC1,4-dichloro-2-propylpiperazine
SMILESCCCC1CN(Cl)CCN1Cl
InChIInChI=1S/C7H14Cl2N2/c1-2-3-7-6-10(8)4-5-11(7)9/h7H,2-6H2,1H3
InChIKeyPWUJTITXDKJJAL-UHFFFAOYSA-N
MW197.11 g/mol
LogP2.08
Rot. Bonds2

About 1,4-dichloro-2-propylpiperazine

1,4-dichloro-2-propylpiperazine (PubChem CID 175269651) has the molecular formula C7H14Cl2N2 and a molecular weight of 197.11 g/mol. Its IUPAC name is 1,4-dichloro-2-propylpiperazine.

Molecular Properties

Compound Name1,4-dichloro-2-propylpiperazine
PubChem CID175269651
Molecular FormulaC7H14Cl2N2
Molecular Weight197.11 g/mol
Exact Mass196.05
IUPAC Name1,4-dichloro-2-propylpiperazine
SMILESCCCC1CN(Cl)CCN1Cl
InChIInChI=1S/C7H14Cl2N2/c1-2-3-7-6-10(8)4-5-11(7)9/h7H,2-6H2,1H3
InChIKeyPWUJTITXDKJJAL-UHFFFAOYSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-propylpiperazine?
The IUPAC name of 1,4-dichloro-2-propylpiperazine (CID 175269651) is 1,4-dichloro-2-propylpiperazine.
What is the SMILES notation for 1,4-dichloro-2-propylpiperazine?
The canonical SMILES for 1,4-dichloro-2-propylpiperazine is CCCC1CN(Cl)CCN1Cl.
What is the InChIKey of 1,4-dichloro-2-propylpiperazine?
The InChIKey is PWUJTITXDKJJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2N2/c1-2-3-7-6-10(8)4-5-11(7)9/h7H,2-6H2,1H3.
What are the key properties of 1,4-dichloro-2-propylpiperazine?
1,4-dichloro-2-propylpiperazine has a molecular weight of 197.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-propylpiperazine is sourced from PubChem (CID 175269651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).