5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine

C15H28N4 — CID 82872161

IUPAC5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(Cc2ccn(C)n2)C(C(C)C)CN1
InChIInChI=1S/C15H28N4/c1-6-15(4)11-19(14(9-16-15)12(2)3)10-13-7-8-18(5)17-13/h7-8,12,14,16H,6,9-11H2,1-5H3
InChIKeyZWUOTCJOTOORKF-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.02
Rot. Bonds4

About 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine (PubChem CID 82872161) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
PubChem CID82872161
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(Cc2ccn(C)n2)C(C(C)C)CN1
InChIInChI=1S/C15H28N4/c1-6-15(4)11-19(14(9-16-15)12(2)3)10-13-7-8-18(5)17-13/h7-8,12,14,16H,6,9-11H2,1-5H3
InChIKeyZWUOTCJOTOORKF-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871948
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837
2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870772
4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64940443
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5-cyclopropyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82870666
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64947762
5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64931798
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine (CID 82872161) is 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine is CCC1(C)CN(Cc2ccn(C)n2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is ZWUOTCJOTOORKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-15(4)11-19(14(9-16-15)12(2)3)10-13-7-8-18(5)17-13/h7-8,12,14,16H,6,9-11H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 264.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 82872161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).