5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine

C18H30N2 — CID 64954497

IUPAC5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine
SMILESCCC(C)C1CN(c2cccc(C)c2C)C(CC)CN1
InChIInChI=1S/C18H30N2/c1-6-13(3)17-12-20(16(7-2)11-19-17)18-10-8-9-14(4)15(18)5/h8-10,13,16-17,19H,6-7,11-12H2,1-5H3
InChIKeyABVGCTVNUOYODI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds4

About 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine

5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine (PubChem CID 64954497) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine
PubChem CID64954497
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine
SMILESCCC(C)C1CN(c2cccc(C)c2C)C(CC)CN1
InChIInChI=1S/C18H30N2/c1-6-13(3)17-12-20(16(7-2)11-19-17)18-10-8-9-14(4)15(18)5/h8-10,13,16-17,19H,6-7,11-12H2,1-5H3
InChIKeyABVGCTVNUOYODI-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522
5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine
CID 107640020
5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
CID 66354786
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 66255306
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64936226
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine (CID 64954497) is 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine is CCC(C)C1CN(c2cccc(C)c2C)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine?
The InChIKey is ABVGCTVNUOYODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-13(3)17-12-20(16(7-2)11-19-17)18-10-8-9-14(4)15(18)5/h8-10,13,16-17,19H,6-7,11-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine?
5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 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-1-(2,3-dimethylphenyl)-2-ethylpiperazine is sourced from PubChem (CID 64954497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).