5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine

C15H28N4 — CID 64837787

IUPAC5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCC(C)CC1CNC(C)(C)CN1CCn1cccn1
InChIInChI=1S/C15H28N4/c1-13(2)10-14-11-16-15(3,4)12-18(14)8-9-19-7-5-6-17-19/h5-7,13-14,16H,8-12H2,1-4H3
InChIKeyMIJHWOPGQAARDD-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.98
Rot. Bonds5

About 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine

5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 64837787) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID64837787
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCC(C)CC1CNC(C)(C)CN1CCn1cccn1
InChIInChI=1S/C15H28N4/c1-13(2)10-14-11-16-15(3,4)12-18(14)8-9-19-7-5-6-17-19/h5-7,13-14,16H,8-12H2,1-4H3
InChIKeyMIJHWOPGQAARDD-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine (CID 64837787) is 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine is CC(C)CC1CNC(C)(C)CN1CCn1cccn1.
What is the InChIKey of 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is MIJHWOPGQAARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(2)10-14-11-16-15(3,4)12-18(14)8-9-19-7-5-6-17-19/h5-7,13-14,16H,8-12H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine?
5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 264.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 64837787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).