2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile

C16H14Cl2N4 — CID 171335886

IUPAC2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2N4/c17-14-4-3-13(10-15(14)18)21-6-8-22(9-7-21)16-12(11-19)2-1-5-20-16/h1-5,10H,6-9H2
InChIKeyRFDTWEAMFKWZMQ-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.59
Rot. Bonds2

About 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 171335886) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID171335886
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2N4/c17-14-4-3-13(10-15(14)18)21-6-8-22(9-7-21)16-12(11-19)2-1-5-20-16/h1-5,10H,6-9H2
InChIKeyRFDTWEAMFKWZMQ-UHFFFAOYSA-N
XLogP3.59
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(3,4-Dichlorophenyl)piperazin-1-Yl]pyrimidine-2,4-Diamine
CID 122164615
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-5-phenylpyridin-2-amine
CID 11496213
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-phenylpyridin-2-amine
CID 11568725
N-(3,4-dichlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 1326396
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865600
2-((3-Chlorophenyl)amino)nicotinonitrile
CID 852634
4-(3,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)piperazine-1-carbothioamide
CID 53257140
N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 11267528
1-(5-Chloro-2-methylphenyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine iodide
CID 15945206
1-Benzyl-4-(3-chloro-pyridin-2-yl)-piperazine
CID 44292196
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3,4-dichlorophenyl)pyridin-2-amine
CID 145949810
2-[4-[3-(4-Phenylpiperazin-1-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168278128

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 171335886) is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RFDTWEAMFKWZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4/c17-14-4-3-13(10-15(14)18)21-6-8-22(9-7-21)16-12(11-19)2-1-5-20-16/h1-5,10H,6-9H2.
What are the key properties of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 333.22 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171335886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).