4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol

C19H18F3N3OS — CID 10363170

IUPAC4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3cc4ncc(C(F)(F)F)cc4s3)CC2)cc1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)13-9-18-17(23-11-13)10-16(27-18)12-24-5-7-25(8-6-24)14-1-3-15(26)4-2-14/h1-4,9-11,26H,5-8,12H2
InChIKeyHJGZNZGNXDLCCU-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.34
Rot. Bonds3

About 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol

4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol (PubChem CID 10363170) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol
PubChem CID10363170
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3cc4ncc(C(F)(F)F)cc4s3)CC2)cc1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)13-9-18-17(23-11-13)10-16(27-18)12-24-5-7-25(8-6-24)14-1-3-15(26)4-2-14/h1-4,9-11,26H,5-8,12H2
InChIKeyHJGZNZGNXDLCCU-UHFFFAOYSA-N
XLogP4.34
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol (CID 10363170) is 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3cc4ncc(C(F)(F)F)cc4s3)CC2)cc1.
What is the InChIKey of 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol?
The InChIKey is HJGZNZGNXDLCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c20-19(21,22)13-9-18-17(23-11-13)10-16(27-18)12-24-5-7-25(8-6-24)14-1-3-15(26)4-2-14/h1-4,9-11,26H,5-8,12H2.
What are the key properties of 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol?
4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol has a molecular weight of 393.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 10363170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).