1-(2,6-dichloro-4-methylphenyl)piperazine

C11H14Cl2N2 — CID 166899180

IUPAC1-(2,6-dichloro-4-methylphenyl)piperazine
SMILESCc1cc(Cl)c(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c1-8-6-9(12)11(10(13)7-8)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyORLWDVWVMAATNB-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.71
Rot. Bonds1

About 1-(2,6-dichloro-4-methylphenyl)piperazine

1-(2,6-dichloro-4-methylphenyl)piperazine (PubChem CID 166899180) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,6-dichloro-4-methylphenyl)piperazine
PubChem CID166899180
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-(2,6-dichloro-4-methylphenyl)piperazine
SMILESCc1cc(Cl)c(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c1-8-6-9(12)11(10(13)7-8)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyORLWDVWVMAATNB-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloro-3-ethylphenyl)piperazine
CID 130431277
8-Chloro-1,2,3,4-tetrahydroquinoline
CID 13219443
Phenethylamine, 3-chloro-4-piperidino-, hydrochloride
CID 3054966
Phenethylamine, 3-chloro-beta-methyl-4-piperidino-, dihydrochloride
CID 217332
1-(2,4-Dichlorophenyl)piperazine
CID 2737527
2(2,6-Dicl-4meph imino)imidazolidine
CID 12406840
2-(3-Chloro-4-piperidin-1-ylphenyl)propan-1-amine;hydrochloride
CID 69594914
N-(2,6-dichloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678845
N-(2-Chloro-6-methylphenyl)-2-(piperidin-1-yl)ethanimidic acid--hydrogen chloride (1/1)
CID 53929
Benzenemethanamine, 3,5-dichloro-N-(4-(4-(4-methylphenyl)-1-piperazinyl)phenyl)-
CID 3061264
3-Chloro-4-(piperazin-1-yl)benzonitrile
CID 19367113
1-(4-Chloro-2-methylphenyl)-piperazine
CID 52983551

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-methylphenyl)piperazine?
The IUPAC name of 1-(2,6-dichloro-4-methylphenyl)piperazine (CID 166899180) is 1-(2,6-dichloro-4-methylphenyl)piperazine.
What is the SMILES notation for 1-(2,6-dichloro-4-methylphenyl)piperazine?
The canonical SMILES for 1-(2,6-dichloro-4-methylphenyl)piperazine is Cc1cc(Cl)c(N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-methylphenyl)piperazine?
The InChIKey is ORLWDVWVMAATNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-8-6-9(12)11(10(13)7-8)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3.
What are the key properties of 1-(2,6-dichloro-4-methylphenyl)piperazine?
1-(2,6-dichloro-4-methylphenyl)piperazine has a molecular weight of 245.15 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-methylphenyl)piperazine is sourced from PubChem (CID 166899180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).