1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C23H25F3N2O2 — CID 16677743

IUPAC1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCn1cc(C(O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H25F3N2O2/c1-27-14-19(18-4-2-3-5-20(18)27)21(29)15-28-12-10-22(30,11-13-28)16-6-8-17(9-7-16)23(24,25)26/h2-9,14,21,29-30H,10-13,15H2,1H3
InChIKeyZTUINLVWSJVRFX-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.21
Rot. Bonds4

About 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 16677743) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID16677743
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCn1cc(C(O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H25F3N2O2/c1-27-14-19(18-4-2-3-5-20(18)27)21(29)15-28-12-10-22(30,11-13-28)16-6-8-17(9-7-16)23(24,25)26/h2-9,14,21,29-30H,10-13,15H2,1H3
InChIKeyZTUINLVWSJVRFX-UHFFFAOYSA-N
XLogP4.21
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 16677743) is 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is Cn1cc(C(O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is ZTUINLVWSJVRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-27-14-19(18-4-2-3-5-20(18)27)21(29)15-28-12-10-22(30,11-13-28)16-6-8-17(9-7-16)23(24,25)26/h2-9,14,21,29-30H,10-13,15H2,1H3.
What are the key properties of 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 418.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 16677743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).