2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile

C18H20N4O — CID 175765241

IUPAC2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20N4O/c19-15-16-5-1-2-6-17(16)23-14-13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8H,9-14H2
InChIKeyCWRQVMQVCIJXIM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.15
Rot. Bonds5

About 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile

2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile (PubChem CID 175765241) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
PubChem CID175765241
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20N4O/c19-15-16-5-1-2-6-17(16)23-14-13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8H,9-14H2
InChIKeyCWRQVMQVCIJXIM-UHFFFAOYSA-N
XLogP2.15
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethoxy]benzonitrile
CID 136574461
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 35957748
2-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile
CID 86825032
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
2-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]benzonitrile
CID 106669436
2-[4-(4-methylpiperazin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2992837
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
2-(4-pyridin-2-yl-1,4-diazepan-1-yl)acetonitrile
CID 136531044
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-(2-ethoxyethyl)-4-pyridin-2-yl-1,4-diazepane
CID 75506679
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
CID 18348689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile (CID 175765241) is 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile is N#Cc1ccccc1OCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile?
The InChIKey is CWRQVMQVCIJXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-15-16-5-1-2-6-17(16)23-14-13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8H,9-14H2.
What are the key properties of 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile?
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 175765241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).