4-methoxy-3-(4-propylpiperazin-1-yl)aniline

C14H23N3O — CID 166926125

IUPAC4-methoxy-3-(4-propylpiperazin-1-yl)aniline
SMILESCCCN1CCN(c2cc(N)ccc2OC)CC1
InChIInChI=1S/C14H23N3O/c1-3-6-16-7-9-17(10-8-16)13-11-12(15)4-5-14(13)18-2/h4-5,11H,3,6-10,15H2,1-2H3
InChIKeyNFBGZUGPCGSAAU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds4

About 4-methoxy-3-(4-propylpiperazin-1-yl)aniline

4-methoxy-3-(4-propylpiperazin-1-yl)aniline (PubChem CID 166926125) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methoxy-3-(4-propylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(4-propylpiperazin-1-yl)aniline
PubChem CID166926125
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methoxy-3-(4-propylpiperazin-1-yl)aniline
SMILESCCCN1CCN(c2cc(N)ccc2OC)CC1
InChIInChI=1S/C14H23N3O/c1-3-6-16-7-9-17(10-8-16)13-11-12(15)4-5-14(13)18-2/h4-5,11H,3,6-10,15H2,1-2H3
InChIKeyNFBGZUGPCGSAAU-UHFFFAOYSA-N
XLogP1.81
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine
CID 167339797
3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
CID 79689324
4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline
CID 60925353
1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
CID 91805028
1-[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-3-methylbut-2-en-1-one
CID 82533898
1-[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533901
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
CID 66617388
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propanenitrile
CID 69080468
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
CID 176934846
4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline
CID 67171188

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-propylpiperazin-1-yl)aniline?
The IUPAC name of 4-methoxy-3-(4-propylpiperazin-1-yl)aniline (CID 166926125) is 4-methoxy-3-(4-propylpiperazin-1-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(4-propylpiperazin-1-yl)aniline?
The canonical SMILES for 4-methoxy-3-(4-propylpiperazin-1-yl)aniline is CCCN1CCN(c2cc(N)ccc2OC)CC1.
What is the InChIKey of 4-methoxy-3-(4-propylpiperazin-1-yl)aniline?
The InChIKey is NFBGZUGPCGSAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-16-7-9-17(10-8-16)13-11-12(15)4-5-14(13)18-2/h4-5,11H,3,6-10,15H2,1-2H3.
What are the key properties of 4-methoxy-3-(4-propylpiperazin-1-yl)aniline?
4-methoxy-3-(4-propylpiperazin-1-yl)aniline has a molecular weight of 249.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-propylpiperazin-1-yl)aniline is sourced from PubChem (CID 166926125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).