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

C20H21FN2OS — CID 56744626

IUPAC[1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C20H21FN2OS/c21-16-8-6-15(7-9-16)12-20(14-24)10-3-11-23(13-20)19-22-17-4-1-2-5-18(17)25-19/h1-2,4-9,24H,3,10-14H2
InChIKeyHTUAJGPNMPFLNI-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.26
Rot. Bonds4

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

[1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 56744626) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID56744626
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name[1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C20H21FN2OS/c21-16-8-6-15(7-9-16)12-20(14-24)10-3-11-23(13-20)19-22-17-4-1-2-5-18(17)25-19/h1-2,4-9,24H,3,10-14H2
InChIKeyHTUAJGPNMPFLNI-UHFFFAOYSA-N
XLogP4.26
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56741696
[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95197933
(3S,4S)-1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
CID 155507808
[3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol
CID 126801946
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1,3-benzothiazole
CID 102850626
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 72896588
[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 42189124
[3-[(2,4-difluorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 56760562
2-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62824679
[2-(1,3-benzothiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 155980345
[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95196902
1-(1,3-benzothiazol-2-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 60516773

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 56744626) is [1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2ccc(F)cc2)CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is HTUAJGPNMPFLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c21-16-8-6-15(7-9-16)12-20(14-24)10-3-11-23(13-20)19-22-17-4-1-2-5-18(17)25-19/h1-2,4-9,24H,3,10-14H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
[1-(1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 4.26, 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-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56744626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).