[1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol

C20H20F2N2OS — CID 56741696

IUPAC[1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2F)CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C20H20F2N2OS/c21-15-7-6-14(16(22)10-15)11-20(13-25)8-3-9-24(12-20)19-23-17-4-1-2-5-18(17)26-19/h1-2,4-7,10,25H,3,8-9,11-13H2
InChIKeyXDWKEQLQTOVJBD-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.40
Rot. Bonds4

About [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol

[1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 56741696) has the molecular formula C20H20F2N2OS and a molecular weight of 374.46 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID56741696
Molecular FormulaC20H20F2N2OS
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2F)CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C20H20F2N2OS/c21-15-7-6-14(16(22)10-15)11-20(13-25)8-3-9-24(12-20)19-23-17-4-1-2-5-18(17)26-19/h1-2,4-7,10,25H,3,8-9,11-13H2
InChIKeyXDWKEQLQTOVJBD-UHFFFAOYSA-N
XLogP4.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 56744626
[3-[(2,4-difluorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 56760562
[(3S)-3-[(2,4-difluorophenyl)methyl]-1-isoquinolin-1-ylpiperidin-3-yl]methanol
CID 95192495
[(3S)-3-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95190698
[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95196902
(3S,4S)-1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 155507808
[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 56738717
[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95197933
[(3S)-3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(furan-3-yl)methanone
CID 42095499
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1,3-benzothiazole
CID 102850626
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56753257
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 154892250

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol (CID 56741696) is [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2ccc(F)cc2F)CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is XDWKEQLQTOVJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2OS/c21-15-7-6-14(16(22)10-15)11-20(13-25)8-3-9-24(12-20)19-23-17-4-1-2-5-18(17)26-19/h1-2,4-7,10,25H,3,8-9,11-13H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
[1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 374.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56741696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).