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

C19H28N6O — CID 70776646

IUPAC4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1cc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)ccn1
InChIInChI=1S/C19H28N6O/c1-15-13-17(3-6-20-15)25-7-4-16(5-8-25)19-22-21-18(23(19)2)14-24-9-11-26-12-10-24/h3,6,13,16H,4-5,7-12,14H2,1-2H3
InChIKeyBBEBLFUYFDNEPT-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.73
Rot. Bonds4

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

4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70776646) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70776646
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1cc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)ccn1
InChIInChI=1S/C19H28N6O/c1-15-13-17(3-6-20-15)25-7-4-16(5-8-25)19-22-21-18(23(19)2)14-24-9-11-26-12-10-24/h3,6,13,16H,4-5,7-12,14H2,1-2H3
InChIKeyBBEBLFUYFDNEPT-UHFFFAOYSA-N
XLogP1.73
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 70776646) is 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cc1cc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)ccn1.
What is the InChIKey of 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is BBEBLFUYFDNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-13-17(3-6-20-15)25-7-4-16(5-8-25)19-22-21-18(23(19)2)14-24-9-11-26-12-10-24/h3,6,13,16H,4-5,7-12,14H2,1-2H3.
What are the key properties of 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 356.47 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70776646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).