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

C20H28FN5O — CID 72911931

IUPAC4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H28FN5O/c1-24-19(15-26-10-12-27-13-11-26)22-23-20(24)16-6-8-25(9-7-16)14-17-4-2-3-5-18(17)21/h2-5,16H,6-15H2,1H3
InChIKeyXVEMWLGKWULBGA-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.17
Rot. Bonds5

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

4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 72911931) has the molecular formula C20H28FN5O and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID72911931
Molecular FormulaC20H28FN5O
Molecular Weight373.48 g/mol
Exact Mass373.23
IUPAC Name4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H28FN5O/c1-24-19(15-26-10-12-27-13-11-26)22-23-20(24)16-6-8-25(9-7-16)14-17-4-2-3-5-18(17)21/h2-5,16H,6-15H2,1H3
InChIKeyXVEMWLGKWULBGA-UHFFFAOYSA-N
XLogP2.17
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 72911931) is 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is XVEMWLGKWULBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O/c1-24-19(15-26-10-12-27-13-11-26)22-23-20(24)16-6-8-25(9-7-16)14-17-4-2-3-5-18(17)21/h2-5,16H,6-15H2,1H3.
What are the key properties of 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 373.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72911931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).