4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine

C18H26N6S — CID 31004261

IUPAC4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine
SMILESCc1cc(N2CCC(n3cc(CN4CCSCC4)nn3)CC2)ccn1
InChIInChI=1S/C18H26N6S/c1-15-12-18(2-5-19-15)23-6-3-17(4-7-23)24-14-16(20-21-24)13-22-8-10-25-11-9-22/h2,5,12,14,17H,3-4,6-11,13H2,1H3
InChIKeyZYVRSHOKZCEWLS-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.37
Rot. Bonds4

About 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine

4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine (PubChem CID 31004261) has the molecular formula C18H26N6S and a molecular weight of 358.52 g/mol. Its IUPAC name is 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine
PubChem CID31004261
Molecular FormulaC18H26N6S
Molecular Weight358.52 g/mol
Exact Mass358.19
IUPAC Name4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine
SMILESCc1cc(N2CCC(n3cc(CN4CCSCC4)nn3)CC2)ccn1
InChIInChI=1S/C18H26N6S/c1-15-12-18(2-5-19-15)23-6-3-17(4-7-23)24-14-16(20-21-24)13-22-8-10-25-11-9-22/h2,5,12,14,17H,3-4,6-11,13H2,1H3
InChIKeyZYVRSHOKZCEWLS-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine?
The IUPAC name of 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine (CID 31004261) is 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine is Cc1cc(N2CCC(n3cc(CN4CCSCC4)nn3)CC2)ccn1.
What is the InChIKey of 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine?
The InChIKey is ZYVRSHOKZCEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6S/c1-15-12-18(2-5-19-15)23-6-3-17(4-7-23)24-14-16(20-21-24)13-22-8-10-25-11-9-22/h2,5,12,14,17H,3-4,6-11,13H2,1H3.
What are the key properties of 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine?
4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine has a molecular weight of 358.52 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine is sourced from PubChem (CID 31004261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).