4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine

C17H22F3N3OS — CID 123491364

IUPAC4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
SMILESCc1[nH]ncc1CN1CCC(OCCF)(c2sc(F)cc2CF)CC1
InChIInChI=1S/C17H22F3N3OS/c1-12-14(10-21-22-12)11-23-5-2-17(3-6-23,24-7-4-18)16-13(9-19)8-15(20)25-16/h8,10H,2-7,9,11H2,1H3,(H,21,22)
InChIKeyMEINAJVHFRNKIM-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.87
Rot. Bonds7

About 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine

4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine (PubChem CID 123491364) has the molecular formula C17H22F3N3OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
PubChem CID123491364
Molecular FormulaC17H22F3N3OS
Molecular Weight373.44 g/mol
Exact Mass373.14
IUPAC Name4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
SMILESCc1[nH]ncc1CN1CCC(OCCF)(c2sc(F)cc2CF)CC1
InChIInChI=1S/C17H22F3N3OS/c1-12-14(10-21-22-12)11-23-5-2-17(3-6-23,24-7-4-18)16-13(9-19)8-15(20)25-16/h8,10H,2-7,9,11H2,1H3,(H,21,22)
InChIKeyMEINAJVHFRNKIM-UHFFFAOYSA-N
XLogP3.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine (CID 123491364) is 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine is Cc1[nH]ncc1CN1CCC(OCCF)(c2sc(F)cc2CF)CC1.
What is the InChIKey of 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine?
The InChIKey is MEINAJVHFRNKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3OS/c1-12-14(10-21-22-12)11-23-5-2-17(3-6-23,24-7-4-18)16-13(9-19)8-15(20)25-16/h8,10H,2-7,9,11H2,1H3,(H,21,22).
What are the key properties of 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine?
4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine has a molecular weight of 373.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-4-[5-fluoro-3-(fluoromethyl)thiophen-2-yl]-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 123491364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).