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

C15H29N5 — CID 107055788

IUPAC5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C(C)CC)CN1Cc1cn(C)nn1
InChIInChI=1S/C15H29N5/c1-5-7-14-8-16-15(12(3)6-2)11-20(14)10-13-9-19(4)18-17-13/h9,12,14-16H,5-8,10-11H2,1-4H3
InChIKeyZLGREQFBYKKWPK-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.80
Rot. Bonds6

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

5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine (PubChem CID 107055788) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
PubChem CID107055788
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C(C)CC)CN1Cc1cn(C)nn1
InChIInChI=1S/C15H29N5/c1-5-7-14-8-16-15(12(3)6-2)11-20(14)10-13-9-19(4)18-17-13/h9,12,14-16H,5-8,10-11H2,1-4H3
InChIKeyZLGREQFBYKKWPK-UHFFFAOYSA-N
XLogP1.80
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055655
2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 107055514
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
CID 64848611
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056103
1-[(3-bromothiophen-2-yl)methyl]-5-butan-2-yl-2-propylpiperazine
CID 64848806
4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 107055925
5-butan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64847845
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64831754
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine (CID 107055788) is 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine is CCCC1CNC(C(C)CC)CN1Cc1cn(C)nn1.
What is the InChIKey of 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine?
The InChIKey is ZLGREQFBYKKWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-7-14-8-16-15(12(3)6-2)11-20(14)10-13-9-19(4)18-17-13/h9,12,14-16H,5-8,10-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine?
5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine has a molecular weight of 279.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine is sourced from PubChem (CID 107055788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).