1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine

C15H22Cl2N2 — CID 587944

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H22Cl2N2/c1-2-6-18-8-10-19(11-9-18)7-5-13-3-4-14(16)15(17)12-13/h3-4,12H,2,5-11H2,1H3
InChIKeyLUKGVLGXYXKAAS-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.56
Rot. Bonds5

About 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine

1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine (PubChem CID 587944) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine
PubChem CID587944
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H22Cl2N2/c1-2-6-18-8-10-19(11-9-18)7-5-13-3-4-14(16)15(17)12-13/h3-4,12H,2,5-11H2,1H3
InChIKeyLUKGVLGXYXKAAS-UHFFFAOYSA-N
XLogP3.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine (CID 587944) is 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine is CCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine?
The InChIKey is LUKGVLGXYXKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-6-18-8-10-19(11-9-18)7-5-13-3-4-14(16)15(17)12-13/h3-4,12H,2,5-11H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine?
1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine has a molecular weight of 301.26 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-4-propylpiperazine is sourced from PubChem (CID 587944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).