3-methoxy-5-(4-phenylpiperazin-1-yl)aniline

C17H21N3O — CID 80726785

IUPAC3-methoxy-5-(4-phenylpiperazin-1-yl)aniline
SMILESCOc1cc(N)cc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-21-17-12-14(18)11-16(13-17)20-9-7-19(8-10-20)15-5-3-2-4-6-15/h2-6,11-13H,7-10,18H2,1H3
InChIKeyFZTCYJFJTINREP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.60
Rot. Bonds3

About 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline

3-methoxy-5-(4-phenylpiperazin-1-yl)aniline (PubChem CID 80726785) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name3-methoxy-5-(4-phenylpiperazin-1-yl)aniline
PubChem CID80726785
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-methoxy-5-(4-phenylpiperazin-1-yl)aniline
SMILESCOc1cc(N)cc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-21-17-12-14(18)11-16(13-17)20-9-7-19(8-10-20)15-5-3-2-4-6-15/h2-6,11-13H,7-10,18H2,1H3
InChIKeyFZTCYJFJTINREP-UHFFFAOYSA-N
XLogP2.60
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.60
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

3-(azepan-1-yl)-5-methoxyaniline
CID 80725876
3-methoxy-5-(1,4-oxazepan-4-yl)aniline
CID 80735841
3-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methoxyaniline
CID 80731185
3-methoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline
CID 80734647
3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline
CID 80735338
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
1-(3-amino-5-methoxyphenyl)-4-methylazepan-4-ol
CID 107403724
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-methoxyaniline
CID 107453075
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methoxyaniline
CID 80737825
3-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 80735368
3-methoxy-5-(2-methylmorpholin-4-yl)aniline
CID 80726541
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline?
The IUPAC name of 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline (CID 80726785) is 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline.
What is the SMILES notation for 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline?
The canonical SMILES for 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline is COc1cc(N)cc(N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline?
The InChIKey is FZTCYJFJTINREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-12-14(18)11-16(13-17)20-9-7-19(8-10-20)15-5-3-2-4-6-15/h2-6,11-13H,7-10,18H2,1H3.
What are the key properties of 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline?
3-methoxy-5-(4-phenylpiperazin-1-yl)aniline has a molecular weight of 283.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-phenylpiperazin-1-yl)aniline is sourced from PubChem (CID 80726785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).