4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine

C14H24N4O2 — CID 136541707

IUPAC4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine
SMILESCOC1CCN(c2nnc(C3CCOCC3)n2C)CC1
InChIInChI=1S/C14H24N4O2/c1-17-13(11-5-9-20-10-6-11)15-16-14(17)18-7-3-12(19-2)4-8-18/h11-12H,3-10H2,1-2H3
InChIKeyPZGVDCVGMNATRA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.32
Rot. Bonds3

About 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine

4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 136541707) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine
PubChem CID136541707
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine
SMILESCOC1CCN(c2nnc(C3CCOCC3)n2C)CC1
InChIInChI=1S/C14H24N4O2/c1-17-13(11-5-9-20-10-6-11)15-16-14(17)18-7-3-12(19-2)4-8-18/h11-12H,3-10H2,1-2H3
InChIKeyPZGVDCVGMNATRA-UHFFFAOYSA-N
XLogP1.32
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
1-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70772748
1-(Oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 53192748
3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-2H-pyran-4-ylpiperidine
CID 53192749
N-{[1-(1,4-dioxan-2-ylmethyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]methyl}-N-methylethanamine
CID 74244730
1-(1,4-dioxan-2-ylmethyl)-5-(methoxymethyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74247363
1-methyl-4-{[5-(tetrahydro-2H-pyran-3-ylmethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl}piperidine
CID 72862934
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydrofuran-3-ylmethyl)piperidine
CID 74237197
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydro-2H-pyran-3-ylmethyl)piperidine
CID 91832863
2-Cyclopropyl-4-[5-cyclopropyl-4-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]-6-methylmorpholine
CID 128304338
1-methyl-4-[[5-[[(3S)-oxan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 97436681
1-methyl-4-[[5-[[(3R)-oxan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 97436682

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine (CID 136541707) is 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine is COC1CCN(c2nnc(C3CCOCC3)n2C)CC1.
What is the InChIKey of 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is PZGVDCVGMNATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17-13(11-5-9-20-10-6-11)15-16-14(17)18-7-3-12(19-2)4-8-18/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine?
4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 280.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 136541707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).