1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride

C13H19Cl3N2 — CID 13035120

IUPAC1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride
SMILESCl.ClCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H
InChIKeyJVLRNANYLVRULL-UHFFFAOYSA-N
MW309.67 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride

1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride (PubChem CID 13035120) has the molecular formula C13H19Cl3N2 and a molecular weight of 309.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride
PubChem CID13035120
Molecular FormulaC13H19Cl3N2
Molecular Weight309.67 g/mol
Exact Mass308.06
IUPAC Name1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride
SMILESCl.ClCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H
InChIKeyJVLRNANYLVRULL-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.67
LogP ≤ 53.51
H-Bond Donors ≤ 50
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-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride (CID 13035120) is 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride is Cl.ClCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride?
The InChIKey is JVLRNANYLVRULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H.
What are the key properties of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride?
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride has a molecular weight of 309.67 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride is sourced from PubChem (CID 13035120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).