4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile

C19H22N6O — CID 10473082

IUPAC4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N2CCCC(c3ccccc3)C2)n1
InChIInChI=1S/C19H22N6O/c20-13-17-21-18(24-9-11-26-12-10-24)23-19(22-17)25-8-4-7-16(14-25)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-12,14H2
InChIKeyACPGGAROWYBYCA-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.96
Rot. Bonds3

About 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile

4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile (PubChem CID 10473082) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
PubChem CID10473082
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N2CCCC(c3ccccc3)C2)n1
InChIInChI=1S/C19H22N6O/c20-13-17-21-18(24-9-11-26-12-10-24)23-19(22-17)25-8-4-7-16(14-25)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-12,14H2
InChIKeyACPGGAROWYBYCA-UHFFFAOYSA-N
XLogP1.96
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile (CID 10473082) is 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N2CCCC(c3ccccc3)C2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile?
The InChIKey is ACPGGAROWYBYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c20-13-17-21-18(24-9-11-26-12-10-24)23-19(22-17)25-8-4-7-16(14-25)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-12,14H2.
What are the key properties of 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile?
4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 10473082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).