2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile

C28H26N2O3S — CID 58338536

About 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile

2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile (PubChem CID 58338536) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
• PubChem CID: 58338536
• Molecular Formula: C28H26N2O3S
• Molecular Weight: 470.59 g/mol
• Exact Mass: 470.17
• IUPAC Name: 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
• SMILES: N#Cc1ccsc1-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
• InChI: InChI=1S/C28H26N2O3S/c29-19-21-12-17-34-28(21)26-10-4-20-18-22(31)5-11-25(20)27(26)33-24-8-6-23(7-9-24)32-16-15-30-13-2-1-3-14-30/h4-12,17-18,31H,1-3,13-16H2
• InChIKey: RNDPWPIRIQBKRE-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 65.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.59
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile?

The IUPAC name of 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile (CID 58338536) is 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile.

What is the SMILES notation for 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile?

The canonical SMILES for 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile is N#Cc1ccsc1-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1.

What is the InChIKey of 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile?

The InChIKey is RNDPWPIRIQBKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c29-19-21-12-17-34-28(21)26-10-4-20-18-22(31)5-11-25(20)27(26)33-24-8-6-23(7-9-24)32-16-15-30-13-2-1-3-14-30/h4-12,17-18,31H,1-3,13-16H2.

What are the key properties of 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile?

2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile has a molecular weight of 470.59 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 58338536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).