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

C14H18N2OS — CID 133397784

IUPAC1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C14H18N2OS/c1-10(17)11-5-4-8-16(9-11)14-15-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3
InChIKeyWQSAJKNUPCROQX-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.89
Rot. Bonds2

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

1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol (PubChem CID 133397784) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
PubChem CID133397784
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C14H18N2OS/c1-10(17)11-5-4-8-16(9-11)14-15-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3
InChIKeyWQSAJKNUPCROQX-UHFFFAOYSA-N
XLogP2.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 125135401
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methylbutanamide
CID 56896130
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
1-(1,3-benzothiazol-2-yl)piperidine-3-carbaldehyde
CID 62664339
2-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 97187298
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
(1S)-1-[(3S)-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-3-yl]ethanol
CID 97250145
2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 133275836

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol (CID 133397784) is 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol is CC(O)C1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol?
The InChIKey is WQSAJKNUPCROQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(17)11-5-4-8-16(9-11)14-15-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3.
What are the key properties of 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol?
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol has a molecular weight of 262.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 133397784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).