1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

C22H19Cl2F3N2O — CID 70639813

About 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 70639813) has the molecular formula C22H19Cl2F3N2O and a molecular weight of 455.31 g/mol. Its IUPAC name is 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
• PubChem CID: 70639813
• Molecular Formula: C22H19Cl2F3N2O
• Molecular Weight: 455.31 g/mol
• Exact Mass: 454.08
• IUPAC Name: 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
• SMILES: C=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
• InChI: InChI=1S/C22H19Cl2F3N2O/c1-13(17-12-28-20-11-15(23)3-4-16(17)20)29-8-6-21(30,7-9-29)14-2-5-19(24)18(10-14)22(25,26)27/h2-5,10-12,28,30H,1,6-9H2
• InChIKey: UXUHNEPTHUKPOF-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 39.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.31
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?

The IUPAC name of 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 70639813) is 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol.

What is the SMILES notation for 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?

The canonical SMILES for 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol is C=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1.

What is the InChIKey of 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?

The InChIKey is UXUHNEPTHUKPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N2O/c1-13(17-12-28-20-11-15(23)3-4-16(17)20)29-8-6-21(30,7-9-29)14-2-5-19(24)18(10-14)22(25,26)27/h2-5,10-12,28,30H,1,6-9H2.

What are the key properties of 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?

1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 455.31 g/mol, XLogP of 6.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 70639813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).