4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine

C15H23ClN2 — CID 142350924

IUPAC4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine
SMILESCc1cc(C)c(N2CC(C)N(C)C(C)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-10-6-11(2)15(14(16)7-10)18-8-12(3)17(5)13(4)9-18/h6-7,12-13H,8-9H2,1-5H3
InChIKeyVXULTTIIUBINPM-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.49
Rot. Bonds1

About 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine

4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine (PubChem CID 142350924) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine
PubChem CID142350924
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine
SMILESCc1cc(C)c(N2CC(C)N(C)C(C)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-10-6-11(2)15(14(16)7-10)18-8-12(3)17(5)13(4)9-18/h6-7,12-13H,8-9H2,1-5H3
InChIKeyVXULTTIIUBINPM-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine?
The IUPAC name of 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine (CID 142350924) is 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine is Cc1cc(C)c(N2CC(C)N(C)C(C)C2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine?
The InChIKey is VXULTTIIUBINPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-10-6-11(2)15(14(16)7-10)18-8-12(3)17(5)13(4)9-18/h6-7,12-13H,8-9H2,1-5H3.
What are the key properties of 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine?
4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine has a molecular weight of 266.82 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine is sourced from PubChem (CID 142350924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).