5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline

C14H22ClN3O2 — CID 130270914

IUPAC5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline
SMILESCOCCN1CCN(c2cc(OC)c(N)cc2Cl)CC1
InChIInChI=1S/C14H22ClN3O2/c1-19-8-7-17-3-5-18(6-4-17)13-10-14(20-2)12(16)9-11(13)15/h9-10H,3-8,16H2,1-2H3
InChIKeyVWWPGYOOXSWDSM-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.70
Rot. Bonds5

About 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline

5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline (PubChem CID 130270914) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline
PubChem CID130270914
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline
SMILESCOCCN1CCN(c2cc(OC)c(N)cc2Cl)CC1
InChIInChI=1S/C14H22ClN3O2/c1-19-8-7-17-3-5-18(6-4-17)13-10-14(20-2)12(16)9-11(13)15/h9-10H,3-8,16H2,1-2H3
InChIKeyVWWPGYOOXSWDSM-UHFFFAOYSA-N
XLogP1.70
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]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

5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline
CID 59452960
5-bromo-2-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 117013659
5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline
CID 143061730
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
CID 66617388
2-methoxy-4-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
CID 168838663
2-chloro-6-(4-ethylpiperazin-1-yl)aniline;2-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-chloro-6-(4-propylpiperazin-1-yl)aniline
CID 158515954
4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
CID 121205984
1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine
CID 67532009
5-amino-4-methoxy-2-(4-methylpiperazin-1-yl)benzonitrile
CID 166710917
5-chloro-2-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 89293941
1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one
CID 67740846
4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline?
The IUPAC name of 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline (CID 130270914) is 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline?
The canonical SMILES for 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline is COCCN1CCN(c2cc(OC)c(N)cc2Cl)CC1.
What is the InChIKey of 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline?
The InChIKey is VWWPGYOOXSWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-19-8-7-17-3-5-18(6-4-17)13-10-14(20-2)12(16)9-11(13)15/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline?
5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline has a molecular weight of 299.80 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 130270914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).