5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine

C16H23N5 — CID 107055753

IUPAC5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCC1CNC(Cc2ccccc2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H23N5/c1-13-9-17-15(8-14-6-4-3-5-7-14)11-21(13)12-16-10-20(2)19-18-16/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3
InChIKeyCWWQQNOGVGFXJM-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds4

About 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine

5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (PubChem CID 107055753) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
PubChem CID107055753
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCC1CNC(Cc2ccccc2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H23N5/c1-13-9-17-15(8-14-6-4-3-5-7-14)11-21(13)12-16-10-20(2)19-18-16/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3
InChIKeyCWWQQNOGVGFXJM-UHFFFAOYSA-N
XLogP1.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (CID 107055753) is 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is CC1CNC(Cc2ccccc2)CN1Cc1cn(C)nn1.
What is the InChIKey of 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is CWWQQNOGVGFXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13-9-17-15(8-14-6-4-3-5-7-14)11-21(13)12-16-10-20(2)19-18-16/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3.
What are the key properties of 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine has a molecular weight of 285.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 107055753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).