1-(1,2-benzothiazol-3-yl)piperidin-4-ol

C12H14N2OS — CID 66570294

IUPAC1-(1,2-benzothiazol-3-yl)piperidin-4-ol
SMILESOC1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C12H14N2OS/c15-9-5-7-14(8-6-9)12-10-3-1-2-4-11(10)16-13-12/h1-4,9,15H,5-8H2
InChIKeyWLOKCWSZUDDCPV-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.26
Rot. Bonds1

About 1-(1,2-benzothiazol-3-yl)piperidin-4-ol

1-(1,2-benzothiazol-3-yl)piperidin-4-ol (PubChem CID 66570294) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(1,2-benzothiazol-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(1,2-benzothiazol-3-yl)piperidin-4-ol
PubChem CID66570294
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(1,2-benzothiazol-3-yl)piperidin-4-ol
SMILESOC1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C12H14N2OS/c15-9-5-7-14(8-6-9)12-10-3-1-2-4-11(10)16-13-12/h1-4,9,15H,5-8H2
InChIKeyWLOKCWSZUDDCPV-UHFFFAOYSA-N
XLogP2.26
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine
CID 71644884
[(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanol
CID 97169710
(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride
CID 71643811
3-piperazin-4-ium-1-yl-1,2-benzothiazole
CID 7020932
[(3S)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine
CID 97165642
[1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644812
[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol
CID 71650110
3-(4-tert-butylpiperazin-1-yl)-1,2-benzothiazole
CID 59648088
(3S)-1-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-ol
CID 171359732
3-(3-methyl-8-aza-5-azoniaspiro[4.5]decan-8-yl)-1,2-benzothiazole
CID 10810011
3-piperazin-1-yl-1,2-benzothiazole;sulfuric acid;hydrate
CID 24784011

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzothiazol-3-yl)piperidin-4-ol?
The IUPAC name of 1-(1,2-benzothiazol-3-yl)piperidin-4-ol (CID 66570294) is 1-(1,2-benzothiazol-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-(1,2-benzothiazol-3-yl)piperidin-4-ol?
The canonical SMILES for 1-(1,2-benzothiazol-3-yl)piperidin-4-ol is OC1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of 1-(1,2-benzothiazol-3-yl)piperidin-4-ol?
The InChIKey is WLOKCWSZUDDCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-9-5-7-14(8-6-9)12-10-3-1-2-4-11(10)16-13-12/h1-4,9,15H,5-8H2.
What are the key properties of 1-(1,2-benzothiazol-3-yl)piperidin-4-ol?
1-(1,2-benzothiazol-3-yl)piperidin-4-ol has a molecular weight of 234.32 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzothiazol-3-yl)piperidin-4-ol is sourced from PubChem (CID 66570294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).