1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol

C20H24N2O2S — CID 163792703

IUPAC1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol
SMILESOC1CCCN(CCc2ccc(Oc3nc4c(s3)CCC=C4)cc2)C1
InChIInChI=1S/C20H24N2O2S/c23-16-4-3-12-22(14-16)13-11-15-7-9-17(10-8-15)24-20-21-18-5-1-2-6-19(18)25-20/h1,5,7-10,16,23H,2-4,6,11-14H2
InChIKeyMYEFLNWNERZIKH-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.89
Rot. Bonds5

About 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol

1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol (PubChem CID 163792703) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol
PubChem CID163792703
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol
SMILESOC1CCCN(CCc2ccc(Oc3nc4c(s3)CCC=C4)cc2)C1
InChIInChI=1S/C20H24N2O2S/c23-16-4-3-12-22(14-16)13-11-15-7-9-17(10-8-15)24-20-21-18-5-1-2-6-19(18)25-20/h1,5,7-10,16,23H,2-4,6,11-14H2
InChIKeyMYEFLNWNERZIKH-UHFFFAOYSA-N
XLogP3.89
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol (CID 163792703) is 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol is OC1CCCN(CCc2ccc(Oc3nc4c(s3)CCC=C4)cc2)C1.
What is the InChIKey of 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol?
The InChIKey is MYEFLNWNERZIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-16-4-3-12-22(14-16)13-11-15-7-9-17(10-8-15)24-20-21-18-5-1-2-6-19(18)25-20/h1,5,7-10,16,23H,2-4,6,11-14H2.
What are the key properties of 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol?
1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol has a molecular weight of 356.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6,7-dihydro-1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-3-ol is sourced from PubChem (CID 163792703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).