4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine

C20H26FN3O2S — CID 46981112

IUPAC4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)sc1CN1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C20H26FN3O2S/c1-15-19(27-20(22-15)24-10-12-25-13-11-24)14-23-8-6-16(7-9-23)26-18-5-3-2-4-17(18)21/h2-5,16H,6-14H2,1H3
InChIKeyCUIYNGVRVDEZMY-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.47
Rot. Bonds5

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

4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine (PubChem CID 46981112) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine
PubChem CID46981112
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC Name4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)sc1CN1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C20H26FN3O2S/c1-15-19(27-20(22-15)24-10-12-25-13-11-24)14-23-8-6-16(7-9-23)26-18-5-3-2-4-17(18)21/h2-5,16H,6-14H2,1H3
InChIKeyCUIYNGVRVDEZMY-UHFFFAOYSA-N
XLogP3.47
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine (CID 46981112) is 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine is Cc1nc(N2CCOCC2)sc1CN1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine?
The InChIKey is CUIYNGVRVDEZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c1-15-19(27-20(22-15)24-10-12-25-13-11-24)14-23-8-6-16(7-9-23)26-18-5-3-2-4-17(18)21/h2-5,16H,6-14H2,1H3.
What are the key properties of 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine?
4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine has a molecular weight of 391.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-4-methyl-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 46981112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).