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

C20H28FN5O — CID 95876196

IUPAC4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H28FN5O/c1-24-19(15-25-9-11-27-12-10-25)22-23-20(24)17-3-2-8-26(14-17)13-16-4-6-18(21)7-5-16/h4-7,17H,2-3,8-15H2,1H3/t17-/m1/s1
InChIKeyKRMITYLSLRJIEQ-QGZVFWFLSA-N
MW373.48 g/mol
LogP2.17
Rot. Bonds5

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

4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 95876196) has the molecular formula C20H28FN5O and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID95876196
Molecular FormulaC20H28FN5O
Molecular Weight373.48 g/mol
Exact Mass373.23
IUPAC Name4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H28FN5O/c1-24-19(15-25-9-11-27-12-10-25)22-23-20(24)17-3-2-8-26(14-17)13-16-4-6-18(21)7-5-16/h4-7,17H,2-3,8-15H2,1H3/t17-/m1/s1
InChIKeyKRMITYLSLRJIEQ-QGZVFWFLSA-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-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 95876196) is 4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is KRMITYLSLRJIEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28FN5O/c1-24-19(15-25-9-11-27-12-10-25)22-23-20(24)17-3-2-8-26(14-17)13-16-4-6-18(21)7-5-16/h4-7,17H,2-3,8-15H2,1H3/t17-/m1/s1.
What are the key properties of 4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-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-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 95876196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).