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

C13H18F2N2O — CID 175107954

IUPAC2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCN1CCCC(F)(F)C1
InChIInChI=1S/C13H18F2N2O/c14-13(15)6-3-7-17(10-13)8-9-18-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10,16H2
InChIKeyOFBYKHKKOMPAGM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.38
Rot. Bonds4

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

2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline (PubChem CID 175107954) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline
PubChem CID175107954
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCN1CCCC(F)(F)C1
InChIInChI=1S/C13H18F2N2O/c14-13(15)6-3-7-17(10-13)8-9-18-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10,16H2
InChIKeyOFBYKHKKOMPAGM-UHFFFAOYSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.38
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

2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2-[2-(3,3-dimethoxyazetidin-1-yl)ethoxy]aniline
CID 79688995
4-[2-(2-aminophenoxy)ethyl]piperazine-1-carbaldehyde
CID 82087161
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 62376118
2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline
CID 79688063
2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013804
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
CID 103531079
2-[2-(2-ethylmorpholin-4-yl)ethoxy]aniline
CID 43562249
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethoxy]aniline
CID 79940825
2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102850259
1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980350
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]benzonitrile
CID 107392613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline (CID 175107954) is 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline is Nc1ccccc1OCCN1CCCC(F)(F)C1.
What is the InChIKey of 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline?
The InChIKey is OFBYKHKKOMPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-13(15)6-3-7-17(10-13)8-9-18-12-5-2-1-4-11(12)16/h1-2,4-5H,3,6-10,16H2.
What are the key properties of 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline?
2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline has a molecular weight of 256.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 175107954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).