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

C16H22N2OS — CID 110931478

IUPAC4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H22N2OS/c19-12-4-3-9-18-10-7-13(8-11-18)16-17-14-5-1-2-6-15(14)20-16/h1-2,5-6,13,19H,3-4,7-12H2
InChIKeyTVWKJCCLIWTPHS-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.25
Rot. Bonds5

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

4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol (PubChem CID 110931478) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
PubChem CID110931478
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H22N2OS/c19-12-4-3-9-18-10-7-13(8-11-18)16-17-14-5-1-2-6-15(14)20-16/h1-2,5-6,13,19H,3-4,7-12H2
InChIKeyTVWKJCCLIWTPHS-UHFFFAOYSA-N
XLogP3.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]benzoic acid
CID 136550077
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-1-ol
CID 110931453
4-[[(3S)-3-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 51137070
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641610
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 1429688
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone
CID 58968120
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
4-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119830444
2-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole
CID 3223430
2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-chlorobenzoic acid
CID 136550076
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 4825491

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol (CID 110931478) is 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol is OCCCCN1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol?
The InChIKey is TVWKJCCLIWTPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-12-4-3-9-18-10-7-13(8-11-18)16-17-14-5-1-2-6-15(14)20-16/h1-2,5-6,13,19H,3-4,7-12H2.
What are the key properties of 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol?
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 110931478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).