[4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C24H22F3N3O2 — CID 71083399

IUPAC[4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(C(O)c3ccccc3)cn2)CC1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)20-9-5-4-8-19(20)23(32)30-14-12-29(13-15-30)21-11-10-18(16-28-21)22(31)17-6-2-1-3-7-17/h1-11,16,22,31H,12-15H2
InChIKeyCIQHWURRYOLQJJ-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.14
Rot. Bonds4

About [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 71083399) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID71083399
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name[4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(C(O)c3ccccc3)cn2)CC1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)20-9-5-4-8-19(20)23(32)30-14-12-29(13-15-30)21-11-10-18(16-28-21)22(31)17-6-2-1-3-7-17/h1-11,16,22,31H,12-15H2
InChIKeyCIQHWURRYOLQJJ-UHFFFAOYSA-N
XLogP4.14
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 71083399) is [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(C(O)c3ccccc3)cn2)CC1.
What is the InChIKey of [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is CIQHWURRYOLQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-24(26,27)20-9-5-4-8-19(20)23(32)30-14-12-29(13-15-30)21-11-10-18(16-28-21)22(31)17-6-2-1-3-7-17/h1-11,16,22,31H,12-15H2.
What are the key properties of [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 441.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[hydroxy(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71083399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).