2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

C16H30N4 — CID 82870772

IUPAC2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCCC1(C)CN(Cc2ccn(C)n2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H30N4/c1-7-16(5)12-20(11-13-8-9-19(6)18-13)14(10-17-16)15(2,3)4/h8-9,14,17H,7,10-12H2,1-6H3
InChIKeyKCWBVRYNOUOXOE-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds3

About 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 82870772) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
PubChem CID82870772
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCCC1(C)CN(Cc2ccn(C)n2)C(C(C)(C)C)CN1
InChIInChI=1S/C16H30N4/c1-7-16(5)12-20(11-13-8-9-19(6)18-13)14(10-17-16)15(2,3)4/h8-9,14,17H,7,10-12H2,1-6H3
InChIKeyKCWBVRYNOUOXOE-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (CID 82870772) is 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is CCC1(C)CN(Cc2ccn(C)n2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is KCWBVRYNOUOXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-16(5)12-20(11-13-8-9-19(6)18-13)14(10-17-16)15(2,3)4/h8-9,14,17H,7,10-12H2,1-6H3.
What are the key properties of 2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.41, 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-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 82870772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).