1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol

C18H25N3OS — CID 70705789

IUPAC1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol
SMILESCc1ccc2nc(N3CCC(N4CCCC(O)C4)CC3)sc2c1
InChIInChI=1S/C18H25N3OS/c1-13-4-5-16-17(11-13)23-18(19-16)20-9-6-14(7-10-20)21-8-2-3-15(22)12-21/h4-5,11,14-15,22H,2-3,6-10,12H2,1H3
InChIKeyZBWYQGVZNNJFKL-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.03
Rot. Bonds2

About 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol

1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol (PubChem CID 70705789) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol
PubChem CID70705789
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol
SMILESCc1ccc2nc(N3CCC(N4CCCC(O)C4)CC3)sc2c1
InChIInChI=1S/C18H25N3OS/c1-13-4-5-16-17(11-13)23-18(19-16)20-9-6-14(7-10-20)21-8-2-3-15(22)12-21/h4-5,11,14-15,22H,2-3,6-10,12H2,1H3
InChIKeyZBWYQGVZNNJFKL-UHFFFAOYSA-N
XLogP3.03
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90611834
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 46244011
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328840
ethyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 74927118
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133318192
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6-methyl-1,3-benzothiazole
CID 154582853

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol (CID 70705789) is 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol is Cc1ccc2nc(N3CCC(N4CCCC(O)C4)CC3)sc2c1.
What is the InChIKey of 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol?
The InChIKey is ZBWYQGVZNNJFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-4-5-16-17(11-13)23-18(19-16)20-9-6-14(7-10-20)21-8-2-3-15(22)12-21/h4-5,11,14-15,22H,2-3,6-10,12H2,1H3.
What are the key properties of 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol?
1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol has a molecular weight of 331.49 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 70705789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).