1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol

C25H25F3N2O2 — CID 68682833

IUPAC1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Oc2ccccn2)cc1)(c1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C25H25F3N2O2/c26-25(27,28)21-8-6-19(7-9-21)24(31,20-12-15-29-16-13-20)17-18-4-10-22(11-5-18)32-23-3-1-2-14-30-23/h1-11,14,20,29,31H,12-13,15-17H2
InChIKeySAHKHPZJQPTCQU-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.32
Rot. Bonds6

About 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol

1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 68682833) has the molecular formula C25H25F3N2O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID68682833
Molecular FormulaC25H25F3N2O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Oc2ccccn2)cc1)(c1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C25H25F3N2O2/c26-25(27,28)21-8-6-19(7-9-21)24(31,20-12-15-29-16-13-20)17-18-4-10-22(11-5-18)32-23-3-1-2-14-30-23/h1-11,14,20,29,31H,12-13,15-17H2
InChIKeySAHKHPZJQPTCQU-UHFFFAOYSA-N
XLogP5.32
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 68682833) is 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc(Oc2ccccn2)cc1)(c1ccc(C(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is SAHKHPZJQPTCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2/c26-25(27,28)21-8-6-19(7-9-21)24(31,20-12-15-29-16-13-20)17-18-4-10-22(11-5-18)32-23-3-1-2-14-30-23/h1-11,14,20,29,31H,12-13,15-17H2.
What are the key properties of 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 442.48 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2-(4-pyridin-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 68682833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).