4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline

C19H24N4O4 — CID 11440188

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
SMILESCOc1ccccc1N1CCN(CCOc2ccc(N)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C19H24N4O4/c1-26-19-5-3-2-4-17(19)22-10-8-21(9-11-22)12-13-27-15-6-7-16(20)18(14-15)23(24)25/h2-7,14H,8-13,20H2,1H3
InChIKeyPGFIDTMJABGULG-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.39
Rot. Bonds7

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline (PubChem CID 11440188) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
PubChem CID11440188
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
SMILESCOc1ccccc1N1CCN(CCOc2ccc(N)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C19H24N4O4/c1-26-19-5-3-2-4-17(19)22-10-8-21(9-11-22)12-13-27-15-6-7-16(20)18(14-15)23(24)25/h2-7,14H,8-13,20H2,1H3
InChIKeyPGFIDTMJABGULG-UHFFFAOYSA-N
XLogP2.39
TPSA94.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
CID 11268901
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2H-benzotriazole
CID 11233507
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
4-(3-morpholin-4-ylpropoxy)-2-nitroaniline
CID 142691529
1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
CID 1375626
4-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethoxy]benzonitrile
CID 27206774
1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine
CID 18190430
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
CID 11473477
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-1,3-benzothiazol-2-amine
CID 155529400
1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 11419230
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-nitrophenyl)ethanamine
CID 57155336

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline (CID 11440188) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline is COc1ccccc1N1CCN(CCOc2ccc(N)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline?
The InChIKey is PGFIDTMJABGULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-26-19-5-3-2-4-17(19)22-10-8-21(9-11-22)12-13-27-15-6-7-16(20)18(14-15)23(24)25/h2-7,14H,8-13,20H2,1H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline has a molecular weight of 372.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline is sourced from PubChem (CID 11440188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).