3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine

C11H20N4O — CID 107385628

IUPAC3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
SMILESCCn1ncnc1COC1(C)CCCNC1
InChIInChI=1S/C11H20N4O/c1-3-15-10(13-9-14-15)7-16-11(2)5-4-6-12-8-11/h9,12H,3-8H2,1-2H3
InChIKeyXJOBLWCELPCGBA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds4

About 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine

3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine (PubChem CID 107385628) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine.

Molecular Properties

Compound Name3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
PubChem CID107385628
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
SMILESCCn1ncnc1COC1(C)CCCNC1
InChIInChI=1S/C11H20N4O/c1-3-15-10(13-9-14-15)7-16-11(2)5-4-6-12-8-11/h9,12H,3-8H2,1-2H3
InChIKeyXJOBLWCELPCGBA-UHFFFAOYSA-N
XLogP0.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine?
The IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine (CID 107385628) is 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine.
What is the SMILES notation for 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine?
The canonical SMILES for 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine is CCn1ncnc1COC1(C)CCCNC1.
What is the InChIKey of 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine?
The InChIKey is XJOBLWCELPCGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-10(13-9-14-15)7-16-11(2)5-4-6-12-8-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine?
3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine has a molecular weight of 224.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine is sourced from PubChem (CID 107385628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).