4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline

C15H24N2O — CID 55040511

IUPAC4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline
SMILESCC1CCCN(CCOc2ccc(N)cc2)C1C
InChIInChI=1S/C15H24N2O/c1-12-4-3-9-17(13(12)2)10-11-18-15-7-5-14(16)6-8-15/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyXZSYVMAMLOSVPP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds4

About 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline

4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline (PubChem CID 55040511) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline
PubChem CID55040511
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline
SMILESCC1CCCN(CCOc2ccc(N)cc2)C1C
InChIInChI=1S/C15H24N2O/c1-12-4-3-9-17(13(12)2)10-11-18-15-7-5-14(16)6-8-15/h5-8,12-13H,3-4,9-11,16H2,1-2H3
InChIKeyXZSYVMAMLOSVPP-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62413368
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
3-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]benzonitrile
CID 62123204
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770
2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040561
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]aniline
CID 54980569
3-[3-(2,3-dimethylpiperidin-1-yl)propoxy]benzonitrile
CID 62123740
5-amino-1-[2-(2,3-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62125307
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281
methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 63382826
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline (CID 55040511) is 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline is CC1CCCN(CCOc2ccc(N)cc2)C1C.
What is the InChIKey of 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline?
The InChIKey is XZSYVMAMLOSVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-4-3-9-17(13(12)2)10-11-18-15-7-5-14(16)6-8-15/h5-8,12-13H,3-4,9-11,16H2,1-2H3.
What are the key properties of 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline?
4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 55040511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).