5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine

C17H27ClN2 — CID 107639962

IUPAC5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1cc(C)ccc1Cl
InChIInChI=1S/C17H27ClN2/c1-6-13-10-19-16(17(3,4)5)11-20(13)15-9-12(2)7-8-14(15)18/h7-9,13,16,19H,6,10-11H2,1-5H3
InChIKeyIXKMHMWYAYFNBM-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds2

About 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine

5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine (PubChem CID 107639962) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
PubChem CID107639962
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1cc(C)ccc1Cl
InChIInChI=1S/C17H27ClN2/c1-6-13-10-19-16(17(3,4)5)11-20(13)15-9-12(2)7-8-14(15)18/h7-9,13,16,19H,6,10-11H2,1-5H3
InChIKeyIXKMHMWYAYFNBM-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine?
The IUPAC name of 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine (CID 107639962) is 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine is CCC1CNC(C(C)(C)C)CN1c1cc(C)ccc1Cl.
What is the InChIKey of 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine?
The InChIKey is IXKMHMWYAYFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-6-13-10-19-16(17(3,4)5)11-20(13)15-9-12(2)7-8-14(15)18/h7-9,13,16,19H,6,10-11H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine?
5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine is sourced from PubChem (CID 107639962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).