2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine

C15H29N5 — CID 107055514

IUPAC2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C(C)C)CN1Cc1cn(C)nn1
InChIInChI=1S/C15H29N5/c1-11(2)6-14-7-16-15(12(3)4)10-20(14)9-13-8-19(5)18-17-13/h8,11-12,14-16H,6-7,9-10H2,1-5H3
InChIKeyGSPKIBUXTOHOOV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.66
Rot. Bonds5

About 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine

2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine (PubChem CID 107055514) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
PubChem CID107055514
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C(C)C)CN1Cc1cn(C)nn1
InChIInChI=1S/C15H29N5/c1-11(2)6-14-7-16-15(12(3)4)10-20(14)9-13-8-19(5)18-17-13/h8,11-12,14-16H,6-7,9-10H2,1-5H3
InChIKeyGSPKIBUXTOHOOV-UHFFFAOYSA-N
XLogP1.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055788
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 104812394
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056009
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319
1,2-bis(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838842
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64837878
1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838073
1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 114014084
5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055655
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64840397
3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 64938538

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine (CID 107055514) is 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine is CC(C)CC1CNC(C(C)C)CN1Cc1cn(C)nn1.
What is the InChIKey of 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is GSPKIBUXTOHOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-11(2)6-14-7-16-15(12(3)4)10-20(14)9-13-8-19(5)18-17-13/h8,11-12,14-16H,6-7,9-10H2,1-5H3.
What are the key properties of 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine?
2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 279.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 107055514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).