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

C25H25F3N2O2 — CID 11554030

IUPAC[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1
InChIInChI=1S/C25H25F3N2O2/c26-25(27,28)21-8-6-19(7-9-21)24(31)20-12-15-30(16-13-20)17-18-4-10-22(11-5-18)32-23-3-1-2-14-29-23/h1-11,14,20,24,31H,12-13,15-17H2
InChIKeyFWOLYEVNNVQXCT-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.84
Rot. Bonds6

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

[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 11554030) has the molecular formula C25H25F3N2O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol
PubChem CID11554030
Molecular FormulaC25H25F3N2O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1
InChIInChI=1S/C25H25F3N2O2/c26-25(27,28)21-8-6-19(7-9-21)24(31)20-12-15-30(16-13-20)17-18-4-10-22(11-5-18)32-23-3-1-2-14-29-23/h1-11,14,20,24,31H,12-13,15-17H2
InChIKeyFWOLYEVNNVQXCT-UHFFFAOYSA-N
XLogP5.84
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15983459
CID 15983459
CID 15983576
CID 15983576
CID 15983840
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CID 23635636
CID 23635636
CID 23636024
CID 23636024
CID 59132740
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CID 68676271
CID 68676271

Frequently Asked Questions

What is the IUPAC name of [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol (CID 11554030) is [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1.
What is the InChIKey of [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is FWOLYEVNNVQXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2/c26-25(27,28)21-8-6-19(7-9-21)24(31)20-12-15-30(16-13-20)17-18-4-10-22(11-5-18)32-23-3-1-2-14-29-23/h1-11,14,20,24,31H,12-13,15-17H2.
What are the key properties of [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol?
[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 442.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 11554030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).