1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine

C18H30N2 — CID 64954676

IUPAC1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccc(N2CC(C(C)C)NCC2C(C)C)c(C)c1
InChIInChI=1S/C18H30N2/c1-12(2)16-11-20(18(10-19-16)13(3)4)17-8-7-14(5)9-15(17)6/h7-9,12-13,16,18-19H,10-11H2,1-6H3
InChIKeyWXAKDWUYPWZBPZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.76
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine

1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 64954676) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
PubChem CID64954676
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccc(N2CC(C(C)C)NCC2C(C)C)c(C)c1
InChIInChI=1S/C18H30N2/c1-12(2)16-11-20(18(10-19-16)13(3)4)17-8-7-14(5)9-15(17)6/h7-9,12-13,16,18-19H,10-11H2,1-6H3
InChIKeyWXAKDWUYPWZBPZ-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952707
1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952698
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300
1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64930665
1-(4-bromo-2,3-dichlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 107794416
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088
5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine
CID 64942325
2,5-di(propan-2-yl)-1-(2-propylphenyl)piperazine
CID 64938901
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine (CID 64954676) is 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine is Cc1ccc(N2CC(C(C)C)NCC2C(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is WXAKDWUYPWZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-12(2)16-11-20(18(10-19-16)13(3)4)17-8-7-14(5)9-15(17)6/h7-9,12-13,16,18-19H,10-11H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine?
1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64954676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).