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

C20H23F3N2O — CID 25289814

IUPAC[1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)18-7-2-1-5-16(18)13-19(15-26)8-11-25(12-9-19)14-17-6-3-4-10-24-17/h1-7,10,26H,8-9,11-15H2
InChIKeyIIVPSNYSPSFMOS-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.92
Rot. Bonds5

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

[1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 25289814) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID25289814
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name[1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)18-7-2-1-5-16(18)13-19(15-26)8-11-25(12-9-19)14-17-6-3-4-10-24-17/h1-7,10,26H,8-9,11-15H2
InChIKeyIIVPSNYSPSFMOS-UHFFFAOYSA-N
XLogP3.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 25289814) is [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccccn2)CC1.
What is the InChIKey of [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is IIVPSNYSPSFMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)18-7-2-1-5-16(18)13-19(15-26)8-11-25(12-9-19)14-17-6-3-4-10-24-17/h1-7,10,26H,8-9,11-15H2.
What are the key properties of [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 364.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 25289814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).