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

C17H18Cl2N2 — CID 174765758

IUPAC1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C17H18Cl2N2/c1-20-9-11-21(12-10-20)14-7-5-13(6-8-14)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3
InChIKeyWZUYDTYHQANDDM-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.41
Rot. Bonds2

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

1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine (PubChem CID 174765758) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
PubChem CID174765758
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C17H18Cl2N2/c1-20-9-11-21(12-10-20)14-7-5-13(6-8-14)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3
InChIKeyWZUYDTYHQANDDM-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-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
1-[3-[(2,6-dichlorophenyl)methyl]phenyl]-4-methylpiperazine
CID 174744693
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276
CID 10917762
CID 10917762
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
1-(2-chloro-6-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide
CID 99971656
1-[4-(2-chlorophenyl)phenyl]piperidine
CID 175206648
1-(6-chloro-3-pyridinyl)-4-methylpiperazine
CID 75355748

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine (CID 174765758) is 1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine is CN1CCN(c2ccc(-c3c(Cl)cccc3Cl)cc2)CC1.
What is the InChIKey of 1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine?
The InChIKey is WZUYDTYHQANDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-20-9-11-21(12-10-20)14-7-5-13(6-8-14)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3.
What are the key properties of 1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine?
1-[4-(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-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 174765758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).