4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline

C18H23N3O — CID 15573951

IUPAC4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
SMILESNc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H23N3O/c19-16-6-8-18(9-7-16)22-15-14-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-9H,10-15,19H2
InChIKeyZYCPIXQIBISKCX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.47
Rot. Bonds5

About 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline

4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline (PubChem CID 15573951) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
PubChem CID15573951
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
SMILESNc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H23N3O/c19-16-6-8-18(9-7-16)22-15-14-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-9H,10-15,19H2
InChIKeyZYCPIXQIBISKCX-UHFFFAOYSA-N
XLogP2.47
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
CID 11404189
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]aniline;dihydrochloride
CID 10222918
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
(2S)-1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12941066
(2S)-1-(tert-butylamino)-3-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenoxy]propan-2-ol
CID 12941089
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-(4-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-ol
CID 82071149

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline (CID 15573951) is 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline is Nc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline?
The InChIKey is ZYCPIXQIBISKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c19-16-6-8-18(9-7-16)22-15-14-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-9H,10-15,19H2.
What are the key properties of 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline?
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline has a molecular weight of 297.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline is sourced from PubChem (CID 15573951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).