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

C13H20Cl4N2 — CID 11617161

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride
SMILESCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C13H18Cl2N2.2ClH/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;2*1H
InChIKeyNXFDBTLQOARIMH-UHFFFAOYSA-N
MW346.13 g/mol
LogP3.63
Rot. Bonds3

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

1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride (PubChem CID 11617161) has the molecular formula C13H20Cl4N2 and a molecular weight of 346.13 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride
PubChem CID11617161
Molecular FormulaC13H20Cl4N2
Molecular Weight346.13 g/mol
Exact Mass344.04
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride
SMILESCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C13H18Cl2N2.2ClH/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;2*1H
InChIKeyNXFDBTLQOARIMH-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.13
LogP ≤ 53.63
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;dihydrochloride?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride (CID 11617161) is 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride is CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride?
The InChIKey is NXFDBTLQOARIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2.2ClH/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;2*1H.
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride?
1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine;dihydrochloride has a molecular weight of 346.13 g/mol, XLogP of 3.63, 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;dihydrochloride is sourced from PubChem (CID 11617161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).