4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline

C15H25N3O2 — CID 175052036

IUPAC4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline
SMILESCCCONc1ccc(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C15H25N3O2/c1-4-11-20-16-13-5-6-15(19-3)14(12-13)18-9-7-17(2)8-10-18/h5-6,12,16H,4,7-11H2,1-3H3
InChIKeyRWIKTMWAEXMMTK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.20
Rot. Bonds6

About 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline

4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline (PubChem CID 175052036) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline.

Molecular Properties

Compound Name4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline
PubChem CID175052036
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline
SMILESCCCONc1ccc(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C15H25N3O2/c1-4-11-20-16-13-5-6-15(19-3)14(12-13)18-9-7-17(2)8-10-18/h5-6,12,16H,4,7-11H2,1-3H3
InChIKeyRWIKTMWAEXMMTK-UHFFFAOYSA-N
XLogP2.20
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride
CID 87953604
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 18180115
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
1-(3-chloro-4-methylphenyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 15541334
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18180114
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
CID 18180082
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
CID 44533201
2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 174398149

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline?
The IUPAC name of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline (CID 175052036) is 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline.
What is the SMILES notation for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline?
The canonical SMILES for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline is CCCONc1ccc(OC)c(N2CCN(C)CC2)c1.
What is the InChIKey of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline?
The InChIKey is RWIKTMWAEXMMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-11-20-16-13-5-6-15(19-3)14(12-13)18-9-7-17(2)8-10-18/h5-6,12,16H,4,7-11H2,1-3H3.
What are the key properties of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline?
4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline has a molecular weight of 279.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline is sourced from PubChem (CID 175052036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).