2-(1,4-dimethylpiperidin-4-yl)oxyaniline

C13H20N2O — CID 117095472

IUPAC2-(1,4-dimethylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(C)(Oc2ccccc2N)CC1
InChIInChI=1S/C13H20N2O/c1-13(7-9-15(2)10-8-13)16-12-6-4-3-5-11(12)14/h3-6H,7-10,14H2,1-2H3
InChIKeyHESWWFYNIYQIGR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.13
Rot. Bonds2

About 2-(1,4-dimethylpiperidin-4-yl)oxyaniline

2-(1,4-dimethylpiperidin-4-yl)oxyaniline (PubChem CID 117095472) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-(1,4-dimethylpiperidin-4-yl)oxyaniline
PubChem CID117095472
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(1,4-dimethylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(C)(Oc2ccccc2N)CC1
InChIInChI=1S/C13H20N2O/c1-13(7-9-15(2)10-8-13)16-12-6-4-3-5-11(12)14/h3-6H,7-10,14H2,1-2H3
InChIKeyHESWWFYNIYQIGR-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperidin-4-yl)oxyaniline?
The IUPAC name of 2-(1,4-dimethylpiperidin-4-yl)oxyaniline (CID 117095472) is 2-(1,4-dimethylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 2-(1,4-dimethylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 2-(1,4-dimethylpiperidin-4-yl)oxyaniline is CN1CCC(C)(Oc2ccccc2N)CC1.
What is the InChIKey of 2-(1,4-dimethylpiperidin-4-yl)oxyaniline?
The InChIKey is HESWWFYNIYQIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(7-9-15(2)10-8-13)16-12-6-4-3-5-11(12)14/h3-6H,7-10,14H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperidin-4-yl)oxyaniline?
2-(1,4-dimethylpiperidin-4-yl)oxyaniline has a molecular weight of 220.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 117095472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).