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

C19H20N2O2S — CID 11473281

IUPAC1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C19H20N2O2S/c22-15-9-11-21(12-10-15)13-14-5-7-16(8-6-14)23-19-20-17-3-1-2-4-18(17)24-19/h1-8,15,22H,9-13H2
InChIKeyCFTXJKKITUELKJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.05
Rot. Bonds4

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

1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol (PubChem CID 11473281) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol
PubChem CID11473281
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C19H20N2O2S/c22-15-9-11-21(12-10-15)13-14-5-7-16(8-6-14)23-19-20-17-3-1-2-4-18(17)24-19/h1-8,15,22H,9-13H2
InChIKeyCFTXJKKITUELKJ-UHFFFAOYSA-N
XLogP4.05
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol (CID 11473281) is 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol?
The InChIKey is CFTXJKKITUELKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-15-9-11-21(12-10-15)13-14-5-7-16(8-6-14)23-19-20-17-3-1-2-4-18(17)24-19/h1-8,15,22H,9-13H2.
What are the key properties of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol?
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol has a molecular weight of 340.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 11473281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).