4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine

C18H18FN3S — CID 10131428

IUPAC4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCC(F)(c4ccccc4)CC3)ncnc12
InChIInChI=1S/C18H18FN3S/c1-13-11-23-16-15(13)20-12-21-17(16)22-9-7-18(19,8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyMEMQDROUPLRRNY-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.46
Rot. Bonds2

About 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine

4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine (PubChem CID 10131428) has the molecular formula C18H18FN3S and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
PubChem CID10131428
Molecular FormulaC18H18FN3S
Molecular Weight327.43 g/mol
Exact Mass327.12
IUPAC Name4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCC(F)(c4ccccc4)CC3)ncnc12
InChIInChI=1S/C18H18FN3S/c1-13-11-23-16-15(13)20-12-21-17(16)22-9-7-18(19,8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyMEMQDROUPLRRNY-UHFFFAOYSA-N
XLogP4.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine (CID 10131428) is 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine is Cc1csc2c(N3CCC(F)(c4ccccc4)CC3)ncnc12.
What is the InChIKey of 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is MEMQDROUPLRRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3S/c1-13-11-23-16-15(13)20-12-21-17(16)22-9-7-18(19,8-10-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine?
4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-4-phenylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 10131428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).