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

C13H16N2OS — CID 62814996

IUPAC[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2snc3ccccc23)C1
InChIInChI=1S/C13H16N2OS/c16-9-10-4-3-7-15(8-10)13-11-5-1-2-6-12(11)14-17-13/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyLNSMCYXZSPBUOW-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.51
Rot. Bonds2

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

[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol (PubChem CID 62814996) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol
PubChem CID62814996
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2snc3ccccc23)C1
InChIInChI=1S/C13H16N2OS/c16-9-10-4-3-7-15(8-10)13-11-5-1-2-6-12(11)14-17-13/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyLNSMCYXZSPBUOW-UHFFFAOYSA-N
XLogP2.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,1-benzothiazol-3-yl)piperidine-3-carbaldehyde
CID 66353435
3-(azepan-1-yl)-2,1-benzothiazole
CID 51133929
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid
CID 64622897
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
[(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanol
CID 97169710
[1-(3-amino-4-methyl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361986
[1-(1,2-benzothiazol-3-yl)azetidin-3-yl]methanol
CID 71650110
3-(4-chloropiperidin-1-yl)-2,1-benzothiazole
CID 66356181
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
2-(2,1-benzothiazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892292

Frequently Asked Questions

What is the IUPAC name of [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol (CID 62814996) is [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol is OCC1CCCN(c2snc3ccccc23)C1.
What is the InChIKey of [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol?
The InChIKey is LNSMCYXZSPBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-9-10-4-3-7-15(8-10)13-11-5-1-2-6-12(11)14-17-13/h1-2,5-6,10,16H,3-4,7-9H2.
What are the key properties of [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol?
[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol has a molecular weight of 248.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 62814996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).