2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile

C18H18F2N4O — CID 56815173

IUPAC2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(O)c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C18H18F2N4O/c19-14-2-1-3-15(20)18(14)16(25)12-23-6-8-24(9-7-23)17-10-13(11-21)4-5-22-17/h1-5,10,16,25H,6-9,12H2
InChIKeyUSAUGZNYZLPKLL-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.09
Rot. Bonds4

About 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 56815173) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID56815173
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(O)c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C18H18F2N4O/c19-14-2-1-3-15(20)18(14)16(25)12-23-6-8-24(9-7-23)17-10-13(11-21)4-5-22-17/h1-5,10,16,25H,6-9,12H2
InChIKeyUSAUGZNYZLPKLL-UHFFFAOYSA-N
XLogP2.09
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 56815173) is 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(CC(O)c3c(F)cccc3F)CC2)c1.
What is the InChIKey of 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is USAUGZNYZLPKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c19-14-2-1-3-15(20)18(14)16(25)12-23-6-8-24(9-7-23)17-10-13(11-21)4-5-22-17/h1-5,10,16,25H,6-9,12H2.
What are the key properties of 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56815173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).