2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol

C20H22N2OS — CID 42895709

IUPAC2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol
SMILESOC(CN1CCCC(c2nc3ccccc3s2)C1)c1ccccc1
InChIInChI=1S/C20H22N2OS/c23-18(15-7-2-1-3-8-15)14-22-12-6-9-16(13-22)20-21-17-10-4-5-11-19(17)24-20/h1-5,7-8,10-11,16,18,23H,6,9,12-14H2
InChIKeyNLYDMZIZDAUGBL-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.21
Rot. Bonds4

About 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol

2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol (PubChem CID 42895709) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol
PubChem CID42895709
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol
SMILESOC(CN1CCCC(c2nc3ccccc3s2)C1)c1ccccc1
InChIInChI=1S/C20H22N2OS/c23-18(15-7-2-1-3-8-15)14-22-12-6-9-16(13-22)20-21-17-10-4-5-11-19(17)24-20/h1-5,7-8,10-11,16,18,23H,6,9,12-14H2
InChIKeyNLYDMZIZDAUGBL-UHFFFAOYSA-N
XLogP4.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol (CID 42895709) is 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol is OC(CN1CCCC(c2nc3ccccc3s2)C1)c1ccccc1.
What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol?
The InChIKey is NLYDMZIZDAUGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-18(15-7-2-1-3-8-15)14-22-12-6-9-16(13-22)20-21-17-10-4-5-11-19(17)24-20/h1-5,7-8,10-11,16,18,23H,6,9,12-14H2.
What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol?
2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol has a molecular weight of 338.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 42895709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).