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

C15H24N2O — CID 113393275

IUPAC2-(3-methylpiperidin-1-yl)-6-propoxyaniline
SMILESCCCOc1cccc(N2CCCC(C)C2)c1N
InChIInChI=1S/C15H24N2O/c1-3-10-18-14-8-4-7-13(15(14)16)17-9-5-6-12(2)11-17/h4,7-8,12H,3,5-6,9-11,16H2,1-2H3
InChIKeyGVWBQVOKIBVMDK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds4

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

2-(3-methylpiperidin-1-yl)-6-propoxyaniline (PubChem CID 113393275) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-6-propoxyaniline.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-6-propoxyaniline
PubChem CID113393275
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-methylpiperidin-1-yl)-6-propoxyaniline
SMILESCCCOc1cccc(N2CCCC(C)C2)c1N
InChIInChI=1S/C15H24N2O/c1-3-10-18-14-8-4-7-13(15(14)16)17-9-5-6-12(2)11-17/h4,7-8,12H,3,5-6,9-11,16H2,1-2H3
InChIKeyGVWBQVOKIBVMDK-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 103194379
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
CID 102955625
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline
CID 113416878
3-(3-methylpiperidin-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110561504
(2R)-1-ethoxy-3-[2-[(3R)-3-methylpiperidin-1-yl]phenoxy]propan-2-ol
CID 124733596
2-(2-cyclobutylethoxy)-6-propoxyaniline
CID 106199742
[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776233
(3S)-1-(2-nitro-3-propoxyphenyl)piperidin-3-ol
CID 107225458
4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline
CID 63671675
2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide
CID 115992523
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-6-propoxyaniline?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-6-propoxyaniline (CID 113393275) is 2-(3-methylpiperidin-1-yl)-6-propoxyaniline.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-6-propoxyaniline?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-6-propoxyaniline is CCCOc1cccc(N2CCCC(C)C2)c1N.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-6-propoxyaniline?
The InChIKey is GVWBQVOKIBVMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-10-18-14-8-4-7-13(15(14)16)17-9-5-6-12(2)11-17/h4,7-8,12H,3,5-6,9-11,16H2,1-2H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-6-propoxyaniline?
2-(3-methylpiperidin-1-yl)-6-propoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-6-propoxyaniline is sourced from PubChem (CID 113393275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).