1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine

C17H18Cl2N2 — CID 174707727

IUPAC1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2cccc(-c3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N2/c1-20-8-10-21(11-9-20)14-5-2-4-13(12-14)17-15(18)6-3-7-16(17)19/h2-7,12H,8-11H2,1H3
InChIKeyOYCPLSQMRJNXDE-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.41
Rot. Bonds2

About 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine

1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine (PubChem CID 174707727) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
PubChem CID174707727
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2cccc(-c3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N2/c1-20-8-10-21(11-9-20)14-5-2-4-13(12-14)17-15(18)6-3-7-16(17)19/h2-7,12H,8-11H2,1H3
InChIKeyOYCPLSQMRJNXDE-UHFFFAOYSA-N
XLogP4.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174765758
1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine
CID 174744693
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
CID 141166517
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
CID 176859206
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
1-[3-(4-chlorophenyl)phenyl]pyrrolidine
CID 168512665
1-(3-ethenylphenyl)-4-methylpiperazine
CID 123546085
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine (CID 174707727) is 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine is CN1CCN(c2cccc(-c3c(Cl)cccc3Cl)c2)CC1.
What is the InChIKey of 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine?
The InChIKey is OYCPLSQMRJNXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-20-8-10-21(11-9-20)14-5-2-4-13(12-14)17-15(18)6-3-7-16(17)19/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine?
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine has a molecular weight of 321.25 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 174707727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).