1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine

C19H32N2 — CID 64952670

IUPAC1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-7-16-12-20-18(14(2)3)13-21(16)17-10-8-15(9-11-17)19(4,5)6/h8-11,14,16,18,20H,7,12-13H2,1-6H3
InChIKeyADTJYQBFFKTWAC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine

1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine (PubChem CID 64952670) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
PubChem CID64952670
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-7-16-12-20-18(14(2)3)13-21(16)17-10-8-15(9-11-17)19(4,5)6/h8-11,14,16,18,20H,7,12-13H2,1-6H3
InChIKeyADTJYQBFFKTWAC-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66354997
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
1-(4-tert-butylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64932942
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64937128
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 66255306
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 81288854
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
CID 66354786

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine (CID 64952670) is 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The InChIKey is ADTJYQBFFKTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-16-12-20-18(14(2)3)13-21(16)17-10-8-15(9-11-17)19(4,5)6/h8-11,14,16,18,20H,7,12-13H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64952670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).