2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

C18H19ClN4O — CID 35957748

IUPAC2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C18H19ClN4O/c19-16-5-1-2-6-17(16)24-13-12-22-8-10-23(11-9-22)18-15(14-20)4-3-7-21-18/h1-7H,8-13H2
InChIKeyCJBRPVCUZJIPDM-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.81
Rot. Bonds5

About 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 35957748) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID35957748
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C18H19ClN4O/c19-16-5-1-2-6-17(16)24-13-12-22-8-10-23(11-9-22)18-15(14-20)4-3-7-21-18/h1-7H,8-13H2
InChIKeyCJBRPVCUZJIPDM-UHFFFAOYSA-N
XLogP2.81
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 17419305
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 111432773
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 175765241
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethoxy]benzonitrile
CID 136574461
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171335886
1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 133313594
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile
CID 86825032
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 35904196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 35957748) is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is CJBRPVCUZJIPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-16-5-1-2-6-17(16)24-13-12-22-8-10-23(11-9-22)18-15(14-20)4-3-7-21-18/h1-7H,8-13H2.
What are the key properties of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 342.83 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 35957748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).