1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine

C14H22N6 — CID 51354296

IUPAC1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine
SMILESc1ncc(CCCn2cc(CN3CCCCC3)nn2)[nH]1
InChIInChI=1S/C14H22N6/c1-2-6-19(7-3-1)10-14-11-20(18-17-14)8-4-5-13-9-15-12-16-13/h9,11-12H,1-8,10H2,(H,15,16)
InChIKeyXHELVODKXMYFLK-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.62
Rot. Bonds6

About 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine

1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine (PubChem CID 51354296) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine
PubChem CID51354296
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine
SMILESc1ncc(CCCn2cc(CN3CCCCC3)nn2)[nH]1
InChIInChI=1S/C14H22N6/c1-2-6-19(7-3-1)10-14-11-20(18-17-14)8-4-5-13-9-15-12-16-13/h9,11-12H,1-8,10H2,(H,15,16)
InChIKeyXHELVODKXMYFLK-UHFFFAOYSA-N
XLogP1.62
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine?
The IUPAC name of 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine (CID 51354296) is 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine is c1ncc(CCCn2cc(CN3CCCCC3)nn2)[nH]1.
What is the InChIKey of 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine?
The InChIKey is XHELVODKXMYFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-2-6-19(7-3-1)10-14-11-20(18-17-14)8-4-5-13-9-15-12-16-13/h9,11-12H,1-8,10H2,(H,15,16).
What are the key properties of 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine?
1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine has a molecular weight of 274.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine is sourced from PubChem (CID 51354296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).