2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine

C18H30N2 — CID 64845564

IUPAC2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
SMILESCCc1ccc(CN2CC(C)NCC2C(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-6-15-7-9-16(10-8-15)13-20-12-14(2)19-11-17(20)18(3,4)5/h7-10,14,17,19H,6,11-13H2,1-5H3
InChIKeyZARJBWWUJFTZDT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds3

About 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine

2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine (PubChem CID 64845564) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
PubChem CID64845564
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
SMILESCCc1ccc(CN2CC(C)NCC2C(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-6-15-7-9-16(10-8-15)13-20-12-14(2)19-11-17(20)18(3,4)5/h7-10,14,17,19H,6,11-13H2,1-5H3
InChIKeyZARJBWWUJFTZDT-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine
CID 64846151
1-[(4-ethylphenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64869776
1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
CID 64843504
2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64844786
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 64978933

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine (CID 64845564) is 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine is CCc1ccc(CN2CC(C)NCC2C(C)(C)C)cc1.
What is the InChIKey of 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine?
The InChIKey is ZARJBWWUJFTZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-15-7-9-16(10-8-15)13-20-12-14(2)19-11-17(20)18(3,4)5/h7-10,14,17,19H,6,11-13H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine?
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 64845564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).