3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine

C16H22N2S — CID 21303325

IUPAC3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine
SMILESCc1csc2ccnc(C3CCN(C(C)C)CC3)c12
InChIInChI=1S/C16H22N2S/c1-11(2)18-8-5-13(6-9-18)16-15-12(3)10-19-14(15)4-7-17-16/h4,7,10-11,13H,5-6,8-9H2,1-3H3
InChIKeyAEGTYXMFZXYAOL-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.19
Rot. Bonds2

About 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine

3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine (PubChem CID 21303325) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine
PubChem CID21303325
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine
SMILESCc1csc2ccnc(C3CCN(C(C)C)CC3)c12
InChIInChI=1S/C16H22N2S/c1-11(2)18-8-5-13(6-9-18)16-15-12(3)10-19-14(15)4-7-17-16/h4,7,10-11,13H,5-6,8-9H2,1-3H3
InChIKeyAEGTYXMFZXYAOL-UHFFFAOYSA-N
XLogP4.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine?
The IUPAC name of 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine (CID 21303325) is 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine is Cc1csc2ccnc(C3CCN(C(C)C)CC3)c12.
What is the InChIKey of 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine?
The InChIKey is AEGTYXMFZXYAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)18-8-5-13(6-9-18)16-15-12(3)10-19-14(15)4-7-17-16/h4,7,10-11,13H,5-6,8-9H2,1-3H3.
What are the key properties of 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine?
3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine has a molecular weight of 274.43 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 21303325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).