4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine

C18H23ClN4O — CID 11473477

IUPAC4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
SMILESNc1ccc(OCCN2CCN(c3ccccc3Cl)CC2)cc1N
InChIInChI=1S/C18H23ClN4O/c19-15-3-1-2-4-18(15)23-9-7-22(8-10-23)11-12-24-14-5-6-16(20)17(21)13-14/h1-6,13H,7-12,20-21H2
InChIKeyJCNKURMTBFUCCU-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.71
Rot. Bonds5

About 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine

4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine (PubChem CID 11473477) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
PubChem CID11473477
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
SMILESNc1ccc(OCCN2CCN(c3ccccc3Cl)CC2)cc1N
InChIInChI=1S/C18H23ClN4O/c19-15-3-1-2-4-18(15)23-9-7-22(8-10-23)11-12-24-14-5-6-16(20)17(21)13-14/h1-6,13H,7-12,20-21H2
InChIKeyJCNKURMTBFUCCU-UHFFFAOYSA-N
XLogP2.71
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]aniline;dihydrochloride
CID 10222918
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
CID 11268901
4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
CID 11404189
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
CID 11440188
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072327
5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 167451868
11-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 170059182
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine?
The IUPAC name of 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine (CID 11473477) is 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine is Nc1ccc(OCCN2CCN(c3ccccc3Cl)CC2)cc1N.
What is the InChIKey of 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine?
The InChIKey is JCNKURMTBFUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-15-3-1-2-4-18(15)23-9-7-22(8-10-23)11-12-24-14-5-6-16(20)17(21)13-14/h1-6,13H,7-12,20-21H2.
What are the key properties of 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine?
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine has a molecular weight of 346.86 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine is sourced from PubChem (CID 11473477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).