1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol

C20H26FN3O2S — CID 100644422

IUPAC1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
SMILESOC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H26FN3O2S/c21-17-4-2-1-3-16(17)13-23-7-5-20(25,6-8-23)18-15-27-19(22-18)14-24-9-11-26-12-10-24/h1-4,15,25H,5-14H2
InChIKeyIRPSEJGPJUKVSY-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.60
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol

1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol (PubChem CID 100644422) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
PubChem CID100644422
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC Name1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
SMILESOC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H26FN3O2S/c21-17-4-2-1-3-16(17)13-23-7-5-20(25,6-8-23)18-15-27-19(22-18)14-24-9-11-26-12-10-24/h1-4,15,25H,5-14H2
InChIKeyIRPSEJGPJUKVSY-UHFFFAOYSA-N
XLogP2.60
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol (CID 100644422) is 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol is OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The InChIKey is IRPSEJGPJUKVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c21-17-4-2-1-3-16(17)13-23-7-5-20(25,6-8-23)18-15-27-19(22-18)14-24-9-11-26-12-10-24/h1-4,15,25H,5-14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol has a molecular weight of 391.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol is sourced from PubChem (CID 100644422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).