1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine

C17H25Cl2N3 — CID 68811205

IUPAC1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
SMILESClc1cccc(N2CCN(CCC3CCNCC3)CC2)c1Cl
InChIInChI=1S/C17H25Cl2N3/c18-15-2-1-3-16(17(15)19)22-12-10-21(11-13-22)9-6-14-4-7-20-8-5-14/h1-3,14,20H,4-13H2
InChIKeyPLCMNTIYNKRHRJ-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.51
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine

1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine (PubChem CID 68811205) has the molecular formula C17H25Cl2N3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
PubChem CID68811205
Molecular FormulaC17H25Cl2N3
Molecular Weight342.31 g/mol
Exact Mass341.14
IUPAC Name1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
SMILESClc1cccc(N2CCN(CCC3CCNCC3)CC2)c1Cl
InChIInChI=1S/C17H25Cl2N3/c18-15-2-1-3-16(17(15)19)22-12-10-21(11-13-22)9-6-14-4-7-20-8-5-14/h1-3,14,20H,4-13H2
InChIKeyPLCMNTIYNKRHRJ-UHFFFAOYSA-N
XLogP3.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine 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

4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 141198642
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride
CID 158018409
[[[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]amino]-hydroxymethylidene]-dimethylazanium
CID 139031870
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 175084902
N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]formamide
CID 155034838
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methylpropanamide;hydrochloride
CID 162319855
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrazole-4-carboxylic acid
CID 156704370
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 141198643

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine (CID 68811205) is 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine is Clc1cccc(N2CCN(CCC3CCNCC3)CC2)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine?
The InChIKey is PLCMNTIYNKRHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3/c18-15-2-1-3-16(17(15)19)22-12-10-21(11-13-22)9-6-14-4-7-20-8-5-14/h1-3,14,20H,4-13H2.
What are the key properties of 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine?
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine has a molecular weight of 342.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine is sourced from PubChem (CID 68811205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).