5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine

C18H29FN2 — CID 64945887

IUPAC5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
SMILESCCC1CNC(C(C)(C)C)CN1C(C)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-6-14-11-20-17(18(3,4)5)12-21(14)13(2)15-9-7-8-10-16(15)19/h7-10,13-14,17,20H,6,11-12H2,1-5H3
InChIKeyZSUUDDIBSYQPPX-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds3

About 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine

5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine (PubChem CID 64945887) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
PubChem CID64945887
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
SMILESCCC1CNC(C(C)(C)C)CN1C(C)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-6-14-11-20-17(18(3,4)5)12-21(14)13(2)15-9-7-8-10-16(15)19/h7-10,13-14,17,20H,6,11-12H2,1-5H3
InChIKeyZSUUDDIBSYQPPX-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
CID 64945888
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 107646420
5-tert-butyl-2-ethyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64940572
5-tert-butyl-1-(2,6-difluoro-3-methylphenyl)-2-ethylpiperazine
CID 82802883
5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
CID 113478263
5-tert-butyl-2-ethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64941928
5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
CID 64947817
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64940687
5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
CID 113478280

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine (CID 64945887) is 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine is CCC1CNC(C(C)(C)C)CN1C(C)c1ccccc1F.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine?
The InChIKey is ZSUUDDIBSYQPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-6-14-11-20-17(18(3,4)5)12-21(14)13(2)15-9-7-8-10-16(15)19/h7-10,13-14,17,20H,6,11-12H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine?
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 64945887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).