2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

C16H26N4 — CID 82872478

IUPAC2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1ccc(CN2CC(C3CC3)NCC2(C)C2CC2)n1
InChIInChI=1S/C16H26N4/c1-16(13-5-6-13)11-17-15(12-3-4-12)10-20(16)9-14-7-8-19(2)18-14/h7-8,12-13,15,17H,3-6,9-11H2,1-2H3
InChIKeyFWPUHRWLNROYSK-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.77
Rot. Bonds4

About 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 82872478) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
PubChem CID82872478
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1ccc(CN2CC(C3CC3)NCC2(C)C2CC2)n1
InChIInChI=1S/C16H26N4/c1-16(13-5-6-13)11-17-15(12-3-4-12)10-20(16)9-14-7-8-19(2)18-14/h7-8,12-13,15,17H,3-6,9-11H2,1-2H3
InChIKeyFWPUHRWLNROYSK-UHFFFAOYSA-N
XLogP1.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64859591
2,5-dicyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698037
2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64862475
1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64860355
5-cyclopropyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82870666
2,5-dicyclopropyl-2-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862471
4,4-dimethyl-5-[(1-methylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 82870404
2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64859583
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870890
5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842250
2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871464
1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 82872305

Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (CID 82872478) is 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is Cn1ccc(CN2CC(C3CC3)NCC2(C)C2CC2)n1.
What is the InChIKey of 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is FWPUHRWLNROYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-16(13-5-6-13)11-17-15(12-3-4-12)10-20(16)9-14-7-8-19(2)18-14/h7-8,12-13,15,17H,3-6,9-11H2,1-2H3.
What are the key properties of 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 82872478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).