3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine

C11H20N4O — CID 62710891

IUPAC3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCOCCn1cnnc1CC1CCCNC1
InChIInChI=1S/C11H20N4O/c1-16-6-5-15-9-13-14-11(15)7-10-3-2-4-12-8-10/h9-10,12H,2-8H2,1H3
InChIKeyASWSVDSJKLPQCS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.47
Rot. Bonds5

About 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine

3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 62710891) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID62710891
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCOCCn1cnnc1CC1CCCNC1
InChIInChI=1S/C11H20N4O/c1-16-6-5-15-9-13-14-11(15)7-10-3-2-4-12-8-10/h9-10,12H,2-8H2,1H3
InChIKeyASWSVDSJKLPQCS-UHFFFAOYSA-N
XLogP0.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine (CID 62710891) is 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine is COCCn1cnnc1CC1CCCNC1.
What is the InChIKey of 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is ASWSVDSJKLPQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-16-6-5-15-9-13-14-11(15)7-10-3-2-4-12-8-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 224.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 62710891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).