2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline

C13H19FN2O — CID 61220325

IUPAC2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
SMILESCCOC1CCN(c2ccc(F)cc2N)CC1
InChIInChI=1S/C13H19FN2O/c1-2-17-11-5-7-16(8-6-11)13-4-3-10(14)9-12(13)15/h3-4,9,11H,2,5-8,15H2,1H3
InChIKeyXIUYJFVDKBTPEU-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline

2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline (PubChem CID 61220325) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
PubChem CID61220325
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
SMILESCCOC1CCN(c2ccc(F)cc2N)CC1
InChIInChI=1S/C13H19FN2O/c1-2-17-11-5-7-16(8-6-11)13-4-3-10(14)9-12(13)15/h3-4,9,11H,2,5-8,15H2,1H3
InChIKeyXIUYJFVDKBTPEU-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.41
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-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
CID 61216671
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline
CID 114281233
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004290
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 63971118
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
CID 28803465
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
CID 61220908
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
2-(3-ethylazetidin-1-yl)-5-fluoroaniline
CID 79689428

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline (CID 61220325) is 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline is CCOC1CCN(c2ccc(F)cc2N)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline?
The InChIKey is XIUYJFVDKBTPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-17-11-5-7-16(8-6-11)13-4-3-10(14)9-12(13)15/h3-4,9,11H,2,5-8,15H2,1H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline?
2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline has a molecular weight of 238.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline is sourced from PubChem (CID 61220325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).