4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine

C19H26FN5O — CID 29211831

IUPAC4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine
SMILESFc1ccc(CN2CCC(n3cc(CN4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C19H26FN5O/c20-17-3-1-16(2-4-17)13-23-7-5-19(6-8-23)25-15-18(21-22-25)14-24-9-11-26-12-10-24/h1-4,15,19H,5-14H2
InChIKeyGPLBZBMHBWRDGY-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.09
Rot. Bonds5

About 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine

4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine (PubChem CID 29211831) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine
PubChem CID29211831
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine
SMILESFc1ccc(CN2CCC(n3cc(CN4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C19H26FN5O/c20-17-3-1-16(2-4-17)13-23-7-5-19(6-8-23)25-15-18(21-22-25)14-24-9-11-26-12-10-24/h1-4,15,19H,5-14H2
InChIKeyGPLBZBMHBWRDGY-UHFFFAOYSA-N
XLogP2.09
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine (CID 29211831) is 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine is Fc1ccc(CN2CCC(n3cc(CN4CCOCC4)nn3)CC2)cc1.
What is the InChIKey of 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine?
The InChIKey is GPLBZBMHBWRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c20-17-3-1-16(2-4-17)13-23-7-5-19(6-8-23)25-15-18(21-22-25)14-24-9-11-26-12-10-24/h1-4,15,19H,5-14H2.
What are the key properties of 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine?
4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine has a molecular weight of 359.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 29211831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).