2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile

C18H18F2N4O — CID 110897687

IUPAC2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H18F2N4O/c19-14-4-1-5-15(20)17(14)16(25)12-23-7-9-24(10-8-23)18-13(11-21)3-2-6-22-18/h1-6,16,25H,7-10,12H2
InChIKeyFISCYDDTJJDWKO-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.09
Rot. Bonds4

About 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 110897687) 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-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID110897687
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H18F2N4O/c19-14-4-1-5-15(20)17(14)16(25)12-23-7-9-24(10-8-23)18-13(11-21)3-2-6-22-18/h1-6,16,25H,7-10,12H2
InChIKeyFISCYDDTJJDWKO-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

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134032363
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile
CID 172891494
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 111432773
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 56778013
2-[(3S)-4-[(2R)-2-hydroxy-2-phenylethyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 95321302
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 134031972
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838
4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78857188

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 110897687) is 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(CC(O)c2c(F)cccc2F)CC1.
What is the InChIKey of 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FISCYDDTJJDWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c19-14-4-1-5-15(20)17(14)16(25)12-23-7-9-24(10-8-23)18-13(11-21)3-2-6-22-18/h1-6,16,25H,7-10,12H2.
What are the key properties of 2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-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-3-carbonitrile is sourced from PubChem (CID 110897687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).