2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

C15H28N4 — CID 64842153

IUPAC2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC1CN(Cc2cnn(C)c2)C(C(C)(C)C)CN1
InChIInChI=1S/C15H28N4/c1-6-13-11-19(10-12-7-17-18(5)9-12)14(8-16-13)15(2,3)4/h7,9,13-14,16H,6,8,10-11H2,1-5H3
InChIKeyJSKLFINMCIDWTN-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.02
Rot. Bonds3

About 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 64842153) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID64842153
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC1CN(Cc2cnn(C)c2)C(C(C)(C)C)CN1
InChIInChI=1S/C15H28N4/c1-6-13-11-19(10-12-7-17-18(5)9-12)14(8-16-13)15(2,3)4/h7,9,13-14,16H,6,8,10-11H2,1-5H3
InChIKeyJSKLFINMCIDWTN-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292
1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
CID 64843504
5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine
CID 64843375
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64834001
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922
2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
CID 64861095
2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982506
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123
1-(2-butoxyethyl)-2-tert-butyl-5-ethylpiperazine
CID 64841177
5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644846
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 64842153) is 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is CCC1CN(Cc2cnn(C)c2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is JSKLFINMCIDWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-13-11-19(10-12-7-17-18(5)9-12)14(8-16-13)15(2,3)4/h7,9,13-14,16H,6,8,10-11H2,1-5H3.
What are the key properties of 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 264.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64842153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).