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

C17H20F2N2OS — CID 110912985

IUPAC1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
SMILESCc1csc(C2CCN(CC(O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C17H20F2N2OS/c1-11-10-23-17(20-11)12-4-6-21(7-5-12)9-16(22)13-2-3-14(18)15(19)8-13/h2-3,8,10,12,16,22H,4-7,9H2,1H3
InChIKeyGIZMZJGCKXIKGX-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.64
Rot. Bonds4

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

1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol (PubChem CID 110912985) has the molecular formula C17H20F2N2OS and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
PubChem CID110912985
Molecular FormulaC17H20F2N2OS
Molecular Weight338.42 g/mol
Exact Mass338.13
IUPAC Name1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
SMILESCc1csc(C2CCN(CC(O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C17H20F2N2OS/c1-11-10-23-17(20-11)12-4-6-21(7-5-12)9-16(22)13-2-3-14(18)15(19)8-13/h2-3,8,10,12,16,22H,4-7,9H2,1H3
InChIKeyGIZMZJGCKXIKGX-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-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 110912986
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 49438404
2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanamine
CID 116965536
(2R)-1-[4-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95309106
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
(1R)-2-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonyl]-1-(3,4-difluorophenyl)ethanol
CID 95161421
(1R)-1-(3-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanol
CID 95582295
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(3,4-difluorophenyl)ethanol
CID 110898682
1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol
CID 111824397
(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 124623176
(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 95334420

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol (CID 110912985) is 1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol is Cc1csc(C2CCN(CC(O)c3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
The InChIKey is GIZMZJGCKXIKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2OS/c1-11-10-23-17(20-11)12-4-6-21(7-5-12)9-16(22)13-2-3-14(18)15(19)8-13/h2-3,8,10,12,16,22H,4-7,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol?
1-(3,4-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-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 110912985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).