2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline

C18H20Cl3N3 — CID 82017724

IUPAC2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline
SMILESClc1ccc(CN2CCN(CNc3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H20Cl3N3/c19-15-6-5-14(11-17(15)21)12-23-7-9-24(10-8-23)13-22-18-4-2-1-3-16(18)20/h1-6,11,22H,7-10,12-13H2
InChIKeyNFGLZOOOQHXSPV-UHFFFAOYSA-N
MW384.74 g/mol
LogP4.83
Rot. Bonds5

About 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline

2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline (PubChem CID 82017724) has the molecular formula C18H20Cl3N3 and a molecular weight of 384.74 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline
PubChem CID82017724
Molecular FormulaC18H20Cl3N3
Molecular Weight384.74 g/mol
Exact Mass383.07
IUPAC Name2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline
SMILESClc1ccc(CN2CCN(CNc3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H20Cl3N3/c19-15-6-5-14(11-17(15)21)12-23-7-9-24(10-8-23)13-22-18-4-2-1-3-16(18)20/h1-6,11,22H,7-10,12-13H2
InChIKeyNFGLZOOOQHXSPV-UHFFFAOYSA-N
XLogP4.83
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.74
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline 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

N-(2,3-dichlorophenyl)-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194756
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 22194778
1-(2-bromoethyl)-4-[(3,4-dichlorophenyl)methyl]piperazine
CID 80674464
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 17255125
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
N-(2,5-dichlorophenyl)-4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide
CID 19574561
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 1484927
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]sulfonylazepane
CID 31690530
4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)piperazine-1-carbothioamide
CID 2957065
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline (CID 82017724) is 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline is Clc1ccc(CN2CCN(CNc3ccccc3Cl)CC2)cc1Cl.
What is the InChIKey of 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline?
The InChIKey is NFGLZOOOQHXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3N3/c19-15-6-5-14(11-17(15)21)12-23-7-9-24(10-8-23)13-22-18-4-2-1-3-16(18)20/h1-6,11,22H,7-10,12-13H2.
What are the key properties of 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline?
2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline has a molecular weight of 384.74 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]aniline is sourced from PubChem (CID 82017724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).