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

C18H24N4O — CID 11404189

IUPAC4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
SMILESNc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1N
InChIInChI=1S/C18H24N4O/c19-17-7-6-16(14-18(17)20)23-13-12-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,14H,8-13,19-20H2
InChIKeyWNTPEBGOXGLYFX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.05
Rot. Bonds5

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

4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine (PubChem CID 11404189) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
PubChem CID11404189
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
SMILESNc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1N
InChIInChI=1S/C18H24N4O/c19-17-7-6-16(14-18(17)20)23-13-12-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,14H,8-13,19-20H2
InChIKeyWNTPEBGOXGLYFX-UHFFFAOYSA-N
XLogP2.05
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.05
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-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
CID 11473477
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
CID 11001412
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
CID 68685508
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
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
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine?
The IUPAC name of 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine (CID 11404189) is 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine is Nc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1N.
What is the InChIKey of 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine?
The InChIKey is WNTPEBGOXGLYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c19-17-7-6-16(14-18(17)20)23-13-12-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,14H,8-13,19-20H2.
What are the key properties of 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine?
4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine has a molecular weight of 312.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine is sourced from PubChem (CID 11404189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).