5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine

C18H30N2 — CID 64939080

IUPAC5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
SMILESCCC(C)C1CN(C(C)c2ccccc2C)C(C)CN1
InChIInChI=1S/C18H30N2/c1-6-13(2)18-12-20(15(4)11-19-18)16(5)17-10-8-7-9-14(17)3/h7-10,13,15-16,18-19H,6,11-12H2,1-5H3
InChIKeyAAKGJILFHYCGID-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.76
Rot. Bonds4

About 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine

5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine (PubChem CID 64939080) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
PubChem CID64939080
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
SMILESCCC(C)C1CN(C(C)c2ccccc2C)C(C)CN1
InChIInChI=1S/C18H30N2/c1-6-13(2)18-12-20(15(4)11-19-18)16(5)17-10-8-7-9-14(17)3/h7-10,13,15-16,18-19H,6,11-12H2,1-5H3
InChIKeyAAKGJILFHYCGID-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
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5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
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5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488
5-butan-2-yl-1-but-3-yn-2-yl-2-methylpiperazine
CID 114420432
5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
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CID 64954497

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine (CID 64939080) is 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine is CCC(C)C1CN(C(C)c2ccccc2C)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine?
The InChIKey is AAKGJILFHYCGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-13(2)18-12-20(15(4)11-19-18)16(5)17-10-8-7-9-14(17)3/h7-10,13,15-16,18-19H,6,11-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine?
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 64939080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).