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

C21H23FN2O2S — CID 18081735

IUPAC1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccccc1F)CN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H23FN2O2S/c22-17-5-1-3-7-19(17)26-14-16(25)13-24-11-9-15(10-12-24)21-23-18-6-2-4-8-20(18)27-21/h1-8,15-16,25H,9-14H2
InChIKeyFWVYSICWPRPYJG-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.05
Rot. Bonds6

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

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 18081735) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
PubChem CID18081735
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccccc1F)CN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H23FN2O2S/c22-17-5-1-3-7-19(17)26-14-16(25)13-24-11-9-15(10-12-24)21-23-18-6-2-4-8-20(18)27-21/h1-8,15-16,25H,9-14H2
InChIKeyFWVYSICWPRPYJG-UHFFFAOYSA-N
XLogP4.05
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 55346195
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
4-[3-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 55470957
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 40815012
1-[4-[1,3-benzothiazol-2-yl(benzyl)amino]piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 14575854
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 1430879
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 1430211
2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole
CID 95567776
1-(2-fluorophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960561
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol (CID 18081735) is 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol is OC(COc1ccccc1F)CN1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is FWVYSICWPRPYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c22-17-5-1-3-7-19(17)26-14-16(25)13-24-11-9-15(10-12-24)21-23-18-6-2-4-8-20(18)27-21/h1-8,15-16,25H,9-14H2.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol?
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 386.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 18081735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).