5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine

C15H29N5 — CID 107055655

IUPAC5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C(C)(C)C)CN1Cc1cn(C)nn1
InChIInChI=1S/C15H29N5/c1-6-7-13-8-16-14(15(2,3)4)11-20(13)10-12-9-19(5)18-17-12/h9,13-14,16H,6-8,10-11H2,1-5H3
InChIKeyWAFLTKXZSDRKGE-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.80
Rot. Bonds4

About 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine

5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine (PubChem CID 107055655) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
PubChem CID107055655
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C(C)(C)C)CN1Cc1cn(C)nn1
InChIInChI=1S/C15H29N5/c1-6-7-13-8-16-14(15(2,3)4)11-20(13)10-12-9-19(5)18-17-12/h9,13-14,16H,6-8,10-11H2,1-5H3
InChIKeyWAFLTKXZSDRKGE-UHFFFAOYSA-N
XLogP1.80
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine
CID 64843375
5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055788
5-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propylpiperazine
CID 79263896
3-tert-butyl-7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056275
5-tert-butyl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65489981
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644892
5-tert-butyl-1-[(2-methylphenyl)methyl]-2-propylpiperazine
CID 64841050
4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 107055925
5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64841244
5-tert-butyl-1-heptyl-2-propylpiperazine
CID 64841631

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine?
The IUPAC name of 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine (CID 107055655) is 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine is CCCC1CNC(C(C)(C)C)CN1Cc1cn(C)nn1.
What is the InChIKey of 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine?
The InChIKey is WAFLTKXZSDRKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-7-13-8-16-14(15(2,3)4)11-20(13)10-12-9-19(5)18-17-12/h9,13-14,16H,6-8,10-11H2,1-5H3.
What are the key properties of 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine?
5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine has a molecular weight of 279.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine is sourced from PubChem (CID 107055655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).