4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine

C16H23N7O — CID 31105162

IUPAC4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine
SMILESc1cnc(N2CCC(n3cc(CN4CCOCC4)nn3)CC2)nc1
InChIInChI=1S/C16H23N7O/c1-4-17-16(18-5-1)22-6-2-15(3-7-22)23-13-14(19-20-23)12-21-8-10-24-11-9-21/h1,4-5,13,15H,2-3,6-12H2
InChIKeyVPXVMJXHDIMJRU-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.74
Rot. Bonds4

About 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine

4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine (PubChem CID 31105162) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine
PubChem CID31105162
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine
SMILESc1cnc(N2CCC(n3cc(CN4CCOCC4)nn3)CC2)nc1
InChIInChI=1S/C16H23N7O/c1-4-17-16(18-5-1)22-6-2-15(3-7-22)23-13-14(19-20-23)12-21-8-10-24-11-9-21/h1,4-5,13,15H,2-3,6-12H2
InChIKeyVPXVMJXHDIMJRU-UHFFFAOYSA-N
XLogP0.74
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine (CID 31105162) is 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine is c1cnc(N2CCC(n3cc(CN4CCOCC4)nn3)CC2)nc1.
What is the InChIKey of 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine?
The InChIKey is VPXVMJXHDIMJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-4-17-16(18-5-1)22-6-2-15(3-7-22)23-13-14(19-20-23)12-21-8-10-24-11-9-21/h1,4-5,13,15H,2-3,6-12H2.
What are the key properties of 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine?
4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine has a molecular weight of 329.41 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-pyrimidin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 31105162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).