1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol

C20H22N2O2S — CID 11416924

IUPAC1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C20H22N2O2S/c23-16-10-13-22(14-11-16)12-9-15-5-7-17(8-6-15)24-20-21-18-3-1-2-4-19(18)25-20/h1-8,16,23H,9-14H2
InChIKeyHHJAPVOVRQGCFN-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.09
Rot. Bonds5

About 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol

1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol (PubChem CID 11416924) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol
PubChem CID11416924
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C20H22N2O2S/c23-16-10-13-22(14-11-16)12-9-15-5-7-17(8-6-15)24-20-21-18-3-1-2-4-19(18)25-20/h1-8,16,23H,9-14H2
InChIKeyHHJAPVOVRQGCFN-UHFFFAOYSA-N
XLogP4.09
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol (CID 11416924) is 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol is OC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol?
The InChIKey is HHJAPVOVRQGCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-16-10-13-22(14-11-16)12-9-15-5-7-17(8-6-15)24-20-21-18-3-1-2-4-19(18)25-20/h1-8,16,23H,9-14H2.
What are the key properties of 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol?
1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol has a molecular weight of 354.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 11416924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).