5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine

C19H32N2 — CID 64931164

IUPAC5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccccc1C(C)C
InChIInChI=1S/C19H32N2/c1-7-15-12-20-18(19(4,5)6)13-21(15)17-11-9-8-10-16(17)14(2)3/h8-11,14-15,18,20H,7,12-13H2,1-6H3
InChIKeyDELQEYZLCIZOHK-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.41
Rot. Bonds3

About 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine

5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine (PubChem CID 64931164) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
PubChem CID64931164
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccccc1C(C)C
InChIInChI=1S/C19H32N2/c1-7-15-12-20-18(19(4,5)6)13-21(15)17-11-9-8-10-16(17)14(2)3/h8-11,14-15,18,20H,7,12-13H2,1-6H3
InChIKeyDELQEYZLCIZOHK-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 107646420
5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64948188
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
CID 107639962
4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64933884
5-tert-butyl-2-ethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64941928
5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
CID 64947856
5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine
CID 64947479
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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine (CID 64931164) is 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine is CCC1CNC(C(C)(C)C)CN1c1ccccc1C(C)C.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine?
The InChIKey is DELQEYZLCIZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-15-12-20-18(19(4,5)6)13-21(15)17-11-9-8-10-16(17)14(2)3/h8-11,14-15,18,20H,7,12-13H2,1-6H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine?
5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 4.41, 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-(2-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 64931164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).