2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline

C14H20F2N2O — CID 57448024

IUPAC2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline
SMILESCCN1CCC(c2cccc(OC(F)F)c2N)CC1
InChIInChI=1S/C14H20F2N2O/c1-2-18-8-6-10(7-9-18)11-4-3-5-12(13(11)17)19-14(15)16/h3-5,10,14H,2,6-9,17H2,1H3
InChIKeyDQDOQJOLPMULDA-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.07
Rot. Bonds4

About 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline

2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline (PubChem CID 57448024) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline
PubChem CID57448024
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline
SMILESCCN1CCC(c2cccc(OC(F)F)c2N)CC1
InChIInChI=1S/C14H20F2N2O/c1-2-18-8-6-10(7-9-18)11-4-3-5-12(13(11)17)19-14(15)16/h3-5,10,14H,2,6-9,17H2,1H3
InChIKeyDQDOQJOLPMULDA-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.07
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-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline?
The IUPAC name of 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline (CID 57448024) is 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline is CCN1CCC(c2cccc(OC(F)F)c2N)CC1.
What is the InChIKey of 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline?
The InChIKey is DQDOQJOLPMULDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-2-18-8-6-10(7-9-18)11-4-3-5-12(13(11)17)19-14(15)16/h3-5,10,14H,2,6-9,17H2,1H3.
What are the key properties of 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline?
2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline has a molecular weight of 270.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-(1-ethylpiperidin-4-yl)aniline is sourced from PubChem (CID 57448024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).