2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline

C16H26N2O2 — CID 102955625

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
SMILESCCCOc1cccc(N2CCC(C)C(OC)C2)c1N
InChIInChI=1S/C16H26N2O2/c1-4-10-20-14-7-5-6-13(16(14)17)18-9-8-12(2)15(11-18)19-3/h5-7,12,15H,4,8-11,17H2,1-3H3
InChIKeyIWTVURHYYFEOQJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline

2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline (PubChem CID 102955625) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
PubChem CID102955625
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
SMILESCCCOc1cccc(N2CCC(C)C(OC)C2)c1N
InChIInChI=1S/C16H26N2O2/c1-4-10-20-14-7-5-6-13(16(14)17)18-9-8-12(2)15(11-18)19-3/h5-7,12,15H,4,8-11,17H2,1-3H3
InChIKeyIWTVURHYYFEOQJ-UHFFFAOYSA-N
XLogP2.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline 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

2-(3-methylpiperidin-1-yl)-6-propoxyaniline
CID 113393275
3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
CID 102955686
1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 103194379
2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline
CID 113416878
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
1-[2-methoxy-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 102958964
2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 114065164
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776233
5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955599
2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 102955657

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline (CID 102955625) is 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline is CCCOc1cccc(N2CCC(C)C(OC)C2)c1N.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline?
The InChIKey is IWTVURHYYFEOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-10-20-14-7-5-6-13(16(14)17)18-9-8-12(2)15(11-18)19-3/h5-7,12,15H,4,8-11,17H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline?
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline has a molecular weight of 278.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline is sourced from PubChem (CID 102955625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).