4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline

C18H24N4O2 — CID 14477738

IUPAC4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline
SMILESCOc1cc(N2CCN(c3ccc(N)c(OC)c3)CC2)ccc1N
InChIInChI=1S/C18H24N4O2/c1-23-17-11-13(3-5-15(17)19)21-7-9-22(10-8-21)14-4-6-16(20)18(12-14)24-2/h3-6,11-12H,7-10,19-20H2,1-2H3
InChIKeyMSDMHPFTUJFFNZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.19
Rot. Bonds4

About 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline

4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline (PubChem CID 14477738) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline
PubChem CID14477738
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline
SMILESCOc1cc(N2CCN(c3ccc(N)c(OC)c3)CC2)ccc1N
InChIInChI=1S/C18H24N4O2/c1-23-17-11-13(3-5-15(17)19)21-7-9-22(10-8-21)14-4-6-16(20)18(12-14)24-2/h3-6,11-12H,7-10,19-20H2,1-2H3
InChIKeyMSDMHPFTUJFFNZ-UHFFFAOYSA-N
XLogP2.19
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline?
The IUPAC name of 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline (CID 14477738) is 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline.
What is the SMILES notation for 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline?
The canonical SMILES for 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline is COc1cc(N2CCN(c3ccc(N)c(OC)c3)CC2)ccc1N.
What is the InChIKey of 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline?
The InChIKey is MSDMHPFTUJFFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-17-11-13(3-5-15(17)19)21-7-9-22(10-8-21)14-4-6-16(20)18(12-14)24-2/h3-6,11-12H,7-10,19-20H2,1-2H3.
What are the key properties of 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline?
4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline has a molecular weight of 328.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-methoxyaniline is sourced from PubChem (CID 14477738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).