1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol

C17H20F2N2OS — CID 110912986

IUPAC1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
SMILESCc1csc(C2CCN(CC(O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C17H20F2N2OS/c1-11-10-23-17(20-11)12-5-7-21(8-6-12)9-15(22)16-13(18)3-2-4-14(16)19/h2-4,10,12,15,22H,5-9H2,1H3
InChIKeySLLHOSFIGVMOBJ-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.64
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol

1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol (PubChem CID 110912986) has the molecular formula C17H20F2N2OS and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
PubChem CID110912986
Molecular FormulaC17H20F2N2OS
Molecular Weight338.42 g/mol
Exact Mass338.13
IUPAC Name1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
SMILESCc1csc(C2CCN(CC(O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C17H20F2N2OS/c1-11-10-23-17(20-11)12-5-7-21(8-6-12)9-15(22)16-13(18)3-2-4-14(16)19/h2-4,10,12,15,22H,5-9H2,1H3
InChIKeySLLHOSFIGVMOBJ-UHFFFAOYSA-N
XLogP3.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 110912985
1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanamine
CID 116965536
1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
CID 111105329
1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 111116494
1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol
CID 110899763
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol
CID 126759659
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
(1R)-1-(3-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanol
CID 95582295
ethyl (3R)-3-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 124847429
1-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110897851

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol (CID 110912986) is 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol is Cc1csc(C2CCN(CC(O)c3c(F)cccc3F)CC2)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The InChIKey is SLLHOSFIGVMOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2OS/c1-11-10-23-17(20-11)12-5-7-21(8-6-12)9-15(22)16-13(18)3-2-4-14(16)19/h2-4,10,12,15,22H,5-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol has a molecular weight of 338.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 110912986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).