4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine

C19H19F2N3S — CID 159832706

IUPAC4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine
SMILESCC(F)(F)c1cccc(N2CCN(c3ccnc4sccc34)CC2)c1
InChIInChI=1S/C19H19F2N3S/c1-19(20,21)14-3-2-4-15(13-14)23-8-10-24(11-9-23)17-5-7-22-18-16(17)6-12-25-18/h2-7,12-13H,8-11H2,1H3
InChIKeyISDAHLKBAVSCOA-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.73
Rot. Bonds3

About 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine

4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine (PubChem CID 159832706) has the molecular formula C19H19F2N3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine
PubChem CID159832706
Molecular FormulaC19H19F2N3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine
SMILESCC(F)(F)c1cccc(N2CCN(c3ccnc4sccc34)CC2)c1
InChIInChI=1S/C19H19F2N3S/c1-19(20,21)14-3-2-4-15(13-14)23-8-10-24(11-9-23)17-5-7-22-18-16(17)6-12-25-18/h2-7,12-13H,8-11H2,1H3
InChIKeyISDAHLKBAVSCOA-UHFFFAOYSA-N
XLogP4.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
CID 132554244
1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
CID 3060365
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 1214443
6-bromo-4-[4-(3-tritylphenyl)piperazin-1-yl]quinoline
CID 139997623
4-[2-(4-thieno[2,3-b]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 123327460
8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 10573164
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
1-tert-butyl-4-(3-tert-butylphenyl)piperazine
CID 66600668
4-bromo-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one
CID 133302857
6-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one
CID 7490204

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine?
The IUPAC name of 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine (CID 159832706) is 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine.
What is the SMILES notation for 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine?
The canonical SMILES for 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine is CC(F)(F)c1cccc(N2CCN(c3ccnc4sccc34)CC2)c1.
What is the InChIKey of 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine?
The InChIKey is ISDAHLKBAVSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3S/c1-19(20,21)14-3-2-4-15(13-14)23-8-10-24(11-9-23)17-5-7-22-18-16(17)6-12-25-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine?
4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine has a molecular weight of 359.45 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine is sourced from PubChem (CID 159832706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).