3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine

C11H20N4O — CID 107385881

IUPAC3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
SMILESCc1nnc(COC2(C)CCCNC2)n1C
InChIInChI=1S/C11H20N4O/c1-9-13-14-10(15(9)3)7-16-11(2)5-4-6-12-8-11/h12H,4-8H2,1-3H3
InChIKeyJCITWQCOCFENTO-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.78
Rot. Bonds3

About 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine

3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine (PubChem CID 107385881) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
PubChem CID107385881
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
SMILESCc1nnc(COC2(C)CCCNC2)n1C
InChIInChI=1S/C11H20N4O/c1-9-13-14-10(15(9)3)7-16-11(2)5-4-6-12-8-11/h12H,4-8H2,1-3H3
InChIKeyJCITWQCOCFENTO-UHFFFAOYSA-N
XLogP0.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine?
The IUPAC name of 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine (CID 107385881) is 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine.
What is the SMILES notation for 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine?
The canonical SMILES for 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine is Cc1nnc(COC2(C)CCCNC2)n1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine?
The InChIKey is JCITWQCOCFENTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-13-14-10(15(9)3)7-16-11(2)5-4-6-12-8-11/h12H,4-8H2,1-3H3.
What are the key properties of 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine?
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine has a molecular weight of 224.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine is sourced from PubChem (CID 107385881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).