2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine

C16H30N4 — CID 64844786

IUPAC2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCC1CN(Cc2ccn(C(C)C)n2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H30N4/c1-12(2)20-8-7-14(18-20)11-19-10-13(3)17-9-15(19)16(4,5)6/h7-8,12-13,15,17H,9-11H2,1-6H3
InChIKeyOOJLDZWLOGOHRJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.67
Rot. Bonds3

About 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine

2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine (PubChem CID 64844786) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
PubChem CID64844786
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCC1CN(Cc2ccn(C(C)C)n2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H30N4/c1-12(2)20-8-7-14(18-20)11-19-10-13(3)17-9-15(19)16(4,5)6/h7-8,12-13,15,17H,9-11H2,1-6H3
InChIKeyOOJLDZWLOGOHRJ-UHFFFAOYSA-N
XLogP2.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64871956
2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine
CID 64845272
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine
CID 120906075
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
5-cyclopropyl-2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64862206
3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64834620
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5-methylpiperazine
CID 64846151
2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-1-propan-2-ylpyrazole
CID 102784910
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66074316

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine (CID 64844786) is 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine is CC1CN(Cc2ccn(C(C)C)n2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
The InChIKey is OOJLDZWLOGOHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)20-8-7-14(18-20)11-19-10-13(3)17-9-15(19)16(4,5)6/h7-8,12-13,15,17H,9-11H2,1-6H3.
What are the key properties of 2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine?
2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.67, 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-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 64844786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).