4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine

C20H27N5O — CID 45202155

IUPAC4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine
SMILESCc1ccccc1-c1cnnc(N2CCCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C20H27N5O/c1-16-5-2-3-7-18(16)19-13-21-23-20(22-19)25-8-4-6-17(15-25)14-24-9-11-26-12-10-24/h2-3,5,7,13,17H,4,6,8-12,14-15H2,1H3
InChIKeyGCTVXJKBIXUGQJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.40
Rot. Bonds4

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

4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine (PubChem CID 45202155) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine
PubChem CID45202155
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine
SMILESCc1ccccc1-c1cnnc(N2CCCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C20H27N5O/c1-16-5-2-3-7-18(16)19-13-21-23-20(22-19)25-8-4-6-17(15-25)14-24-9-11-26-12-10-24/h2-3,5,7,13,17H,4,6,8-12,14-15H2,1H3
InChIKeyGCTVXJKBIXUGQJ-UHFFFAOYSA-N
XLogP2.40
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine (CID 45202155) is 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine is Cc1ccccc1-c1cnnc(N2CCCC(CN3CCOCC3)C2)n1.
What is the InChIKey of 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine?
The InChIKey is GCTVXJKBIXUGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16-5-2-3-7-18(16)19-13-21-23-20(22-19)25-8-4-6-17(15-25)14-24-9-11-26-12-10-24/h2-3,5,7,13,17H,4,6,8-12,14-15H2,1H3.
What are the key properties of 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine?
4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 45202155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).