5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine

C18H30N2 — CID 64947844

IUPAC5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(C(C)N2CC(C)(C)NCC2C(C)C)cc1
InChIInChI=1S/C18H30N2/c1-13(2)17-11-19-18(5,6)12-20(17)15(4)16-9-7-14(3)8-10-16/h7-10,13,15,17,19H,11-12H2,1-6H3
InChIKeyVMBGAXALPNXKLK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.76
Rot. Bonds3

About 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine

5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 64947844) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine
PubChem CID64947844
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(C(C)N2CC(C)(C)NCC2C(C)C)cc1
InChIInChI=1S/C18H30N2/c1-13(2)17-11-19-18(5,6)12-20(17)15(4)16-9-7-14(3)8-10-16/h7-10,13,15,17,19H,11-12H2,1-6H3
InChIKeyVMBGAXALPNXKLK-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-[1-(furan-2-yl)ethyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935794
1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64946846
1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64930665
1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 66242439
1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64948195
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64936101
1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840083
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64932532
1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935073

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine (CID 64947844) is 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine is Cc1ccc(C(C)N2CC(C)(C)NCC2C(C)C)cc1.
What is the InChIKey of 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is VMBGAXALPNXKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)17-11-19-18(5,6)12-20(17)15(4)16-9-7-14(3)8-10-16/h7-10,13,15,17,19H,11-12H2,1-6H3.
What are the key properties of 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine?
5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine 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 5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64947844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).