4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

C16H29N5O2 — CID 70787358

IUPAC4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOCCN1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C16H29N5O2/c1-19-15(13-21-7-10-23-11-8-21)17-18-16(19)14-4-3-5-20(12-14)6-9-22-2/h14H,3-13H2,1-2H3
InChIKeyPJFWQOAAVKPLCX-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.47
Rot. Bonds6

About 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70787358) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70787358
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOCCN1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C16H29N5O2/c1-19-15(13-21-7-10-23-11-8-21)17-18-16(19)14-4-3-5-20(12-14)6-9-22-2/h14H,3-13H2,1-2H3
InChIKeyPJFWQOAAVKPLCX-UHFFFAOYSA-N
XLogP0.47
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70787358) is 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is COCCN1CCCC(c2nnc(CN3CCOCC3)n2C)C1.
What is the InChIKey of 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is PJFWQOAAVKPLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-19-15(13-21-7-10-23-11-8-21)17-18-16(19)14-4-3-5-20(12-14)6-9-22-2/h14H,3-13H2,1-2H3.
What are the key properties of 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 323.44 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70787358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).