4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C18H19N3S — CID 2100018

IUPAC4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2
InChIKeyAJQCKNBBHOVJGO-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.15
Rot. Bonds3

About 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine

4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 2100018) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID2100018
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2
InChIKeyAJQCKNBBHOVJGO-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 2100018) is 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine is c1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is AJQCKNBBHOVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 309.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2100018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).