6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile

C18H18F2N4O — CID 50960880

IUPAC6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCOc1cc(F)c(CN2CCN(c3cccc(C#N)n3)CC2)c(F)c1
InChIInChI=1S/C18H18F2N4O/c1-25-14-9-16(19)15(17(20)10-14)12-23-5-7-24(8-6-23)18-4-2-3-13(11-21)22-18/h2-4,9-10H,5-8,12H2,1H3
InChIKeyRXWUMEJQICYUKY-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.56
Rot. Bonds4

About 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile

6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 50960880) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID50960880
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCOc1cc(F)c(CN2CCN(c3cccc(C#N)n3)CC2)c(F)c1
InChIInChI=1S/C18H18F2N4O/c1-25-14-9-16(19)15(17(20)10-14)12-23-5-7-24(8-6-23)18-4-2-3-13(11-21)22-18/h2-4,9-10H,5-8,12H2,1H3
InChIKeyRXWUMEJQICYUKY-UHFFFAOYSA-N
XLogP2.56
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine-5-carbonitrile
CID 50957950
6-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 171700962
2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 64590131
6-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 154828905
6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133304422
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
6-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyridine-2-carbonitrile
CID 135114998
6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 66201042
6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798498
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile
CID 9025171
6-(4-methyl-3-oxopiperazin-1-yl)pyridine-2-carbonitrile
CID 64681399

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile (CID 50960880) is 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile is COc1cc(F)c(CN2CCN(c3cccc(C#N)n3)CC2)c(F)c1.
What is the InChIKey of 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is RXWUMEJQICYUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-25-14-9-16(19)15(17(20)10-14)12-23-5-7-24(8-6-23)18-4-2-3-13(11-21)22-18/h2-4,9-10H,5-8,12H2,1H3.
What are the key properties of 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile?
6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 50960880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).