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

C32H28F6N2O2 — CID 15452130

IUPAC[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1
InChIInChI=1S/C32H28F6N2O2/c33-31(34,35)26-10-6-23(7-11-26)30(41,24-8-12-27(13-9-24)32(36,37)38)25-16-19-40(20-17-25)21-22-4-14-28(15-5-22)42-29-3-1-2-18-39-29/h1-15,18,25,41H,16-17,19-21H2
InChIKeyXGVWUTHPRSDCGD-UHFFFAOYSA-N
MW586.58 g/mol
LogP8.06
Rot. Bonds7

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

[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol (PubChem CID 15452130) has the molecular formula C32H28F6N2O2 and a molecular weight of 586.58 g/mol. Its IUPAC name is [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
PubChem CID15452130
Molecular FormulaC32H28F6N2O2
Molecular Weight586.58 g/mol
Exact Mass586.21
IUPAC Name[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1
InChIInChI=1S/C32H28F6N2O2/c33-31(34,35)26-10-6-23(7-11-26)30(41,24-8-12-27(13-9-24)32(36,37)38)25-16-19-40(20-17-25)21-22-4-14-28(15-5-22)42-29-3-1-2-18-39-29/h1-15,18,25,41H,16-17,19-21H2
InChIKeyXGVWUTHPRSDCGD-UHFFFAOYSA-N
XLogP8.06
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.58
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol (CID 15452130) is [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)(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]-bis[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is XGVWUTHPRSDCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F6N2O2/c33-31(34,35)26-10-6-23(7-11-26)30(41,24-8-12-27(13-9-24)32(36,37)38)25-16-19-40(20-17-25)21-22-4-14-28(15-5-22)42-29-3-1-2-18-39-29/h1-15,18,25,41H,16-17,19-21H2.
What are the key properties of [1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol?
[1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 586.58 g/mol, XLogP of 8.06, 7 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]-bis[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 15452130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).