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

C13H16N2OS — CID 79818430

IUPAC4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
SMILESOC1(Cc2nc3ccccc3s2)CCNCC1
InChIInChI=1S/C13H16N2OS/c16-13(5-7-14-8-6-13)9-12-15-10-3-1-2-4-11(10)17-12/h1-4,14,16H,5-9H2
InChIKeyLSGFLUOMDBYRLH-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.95
Rot. Bonds2

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

4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol (PubChem CID 79818430) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
PubChem CID79818430
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
SMILESOC1(Cc2nc3ccccc3s2)CCNCC1
InChIInChI=1S/C13H16N2OS/c16-13(5-7-14-8-6-13)9-12-15-10-3-1-2-4-11(10)17-12/h1-4,14,16H,5-9H2
InChIKeyLSGFLUOMDBYRLH-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564355
4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol
CID 81042250
3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol
CID 79818587
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
3-(1,3-benzothiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70757949
3-(1,3-benzothiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72881914
1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65111068
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carbonitrile
CID 104632299

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol (CID 79818430) is 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol is OC1(Cc2nc3ccccc3s2)CCNCC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol?
The InChIKey is LSGFLUOMDBYRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-13(5-7-14-8-6-13)9-12-15-10-3-1-2-4-11(10)17-12/h1-4,14,16H,5-9H2.
What are the key properties of 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol?
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol has a molecular weight of 248.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 79818430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).