4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine

C18H18FN3OS — CID 133422229

IUPAC4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESFc1ccc(COC2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H18FN3OS/c19-14-3-1-13(2-4-14)11-23-15-5-8-22(9-6-15)17-16-7-10-24-18(16)21-12-20-17/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKeyBMGXSAVMQYZAAN-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.02
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine

4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133422229) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133422229
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESFc1ccc(COC2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H18FN3OS/c19-14-3-1-13(2-4-14)11-23-15-5-8-22(9-6-15)17-16-7-10-24-18(16)21-12-20-17/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKeyBMGXSAVMQYZAAN-UHFFFAOYSA-N
XLogP4.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 133422229) is 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine is Fc1ccc(COC2CCN(c3ncnc4sccc34)CC2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is BMGXSAVMQYZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-14-3-1-13(2-4-14)11-23-15-5-8-22(9-6-15)17-16-7-10-24-18(16)21-12-20-17/h1-4,7,10,12,15H,5-6,8-9,11H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 343.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133422229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).