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

C13H18Cl2N2 — CID 574780

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3
InChIKeySUIZRDJCBVPASY-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.78
Rot. Bonds3

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

1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine (PubChem CID 574780) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine
PubChem CID574780
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3
InChIKeySUIZRDJCBVPASY-UHFFFAOYSA-N
XLogP2.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.78
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-methylpiperazine?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine (CID 574780) is 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine is CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine?
The InChIKey is SUIZRDJCBVPASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine?
1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine has a molecular weight of 273.21 g/mol, XLogP of 2.78, 3 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-methylpiperazine is sourced from PubChem (CID 574780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).