6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

C18H19ClN4O — CID 18133063

IUPAC6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C18H19ClN4O/c19-16-2-4-17(5-3-16)24-12-11-22-7-9-23(10-8-22)18-6-1-15(13-20)14-21-18/h1-6,14H,7-12H2
InChIKeyWTVBAKFVKZJUKQ-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.81
Rot. Bonds5

About 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 18133063) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID18133063
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C18H19ClN4O/c19-16-2-4-17(5-3-16)24-12-11-22-7-9-23(10-8-22)18-6-1-15(13-20)14-21-18/h1-6,14H,7-12H2
InChIKeyWTVBAKFVKZJUKQ-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

2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36634426
6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 47068773
6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 10025889
4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-3-nitrobenzonitrile
CID 16558707
3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
CID 153358176
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 86921884
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110
6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 35902552
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 167767188
5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol
CID 175742349

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 18133063) is 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WTVBAKFVKZJUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-16-2-4-17(5-3-16)24-12-11-22-7-9-23(10-8-22)18-6-1-15(13-20)14-21-18/h1-6,14H,7-12H2.
What are the key properties of 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-(4-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 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 18133063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).