2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol

C29H31N3O2S — CID 68678654

About 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol

2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol (PubChem CID 68678654) has the molecular formula C29H31N3O2S and a molecular weight of 485.65 g/mol. Its IUPAC name is 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol
• PubChem CID: 68678654
• Molecular Formula: C29H31N3O2S
• Molecular Weight: 485.65 g/mol
• Exact Mass: 485.21
• IUPAC Name: 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol
• SMILES: Nc1ncc(C=CCN2CCC(CCO)CC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
• InChI: InChI=1S/C29H31N3O2S/c30-29-27-26(22-8-10-25(11-9-22)34-24-6-2-1-3-7-24)20-35-28(27)23(19-31-29)5-4-15-32-16-12-21(13-17-32)14-18-33/h1-11,19-21,33H,12-18H2,(H2,30,31)
• InChIKey: ZUETVUAIHYPSOE-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 71.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.65
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol?

The IUPAC name of 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol (CID 68678654) is 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol.

What is the SMILES notation for 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol?

The canonical SMILES for 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol is Nc1ncc(C=CCN2CCC(CCO)CC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12.

What is the InChIKey of 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol?

The InChIKey is ZUETVUAIHYPSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2S/c30-29-27-26(22-8-10-25(11-9-22)34-24-6-2-1-3-7-24)20-35-28(27)23(19-31-29)5-4-15-32-16-12-21(13-17-32)14-18-33/h1-11,19-21,33H,12-18H2,(H2,30,31).

What are the key properties of 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol?

2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol has a molecular weight of 485.65 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 68678654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).