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

C17H31N5O2 — CID 70719251

IUPAC4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOCCCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C17H31N5O2/c1-20-16(14-22-9-12-24-13-10-22)18-19-17(20)15-4-7-21(8-5-15)6-3-11-23-2/h15H,3-14H2,1-2H3
InChIKeyOIDWOPGGFLTIJE-UHFFFAOYSA-N
MW337.47 g/mol
LogP0.86
Rot. Bonds7

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

4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70719251) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70719251
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOCCCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C17H31N5O2/c1-20-16(14-22-9-12-24-13-10-22)18-19-17(20)15-4-7-21(8-5-15)6-3-11-23-2/h15H,3-14H2,1-2H3
InChIKeyOIDWOPGGFLTIJE-UHFFFAOYSA-N
XLogP0.86
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70719251) is 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is COCCCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is OIDWOPGGFLTIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-20-16(14-22-9-12-24-13-10-22)18-19-17(20)15-4-7-21(8-5-15)6-3-11-23-2/h15H,3-14H2,1-2H3.
What are the key properties of 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 337.47 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(3-methoxypropyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70719251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).