4-fluoro-3-(2-piperidin-1-ylethoxy)aniline

C13H19FN2O — CID 139983014

IUPAC4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
SMILESNc1ccc(F)c(OCCN2CCCCC2)c1
InChIInChI=1S/C13H19FN2O/c14-12-5-4-11(15)10-13(12)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9,15H2
InChIKeyKRSHEVAGMXLIEJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.27
Rot. Bonds4

About 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline

4-fluoro-3-(2-piperidin-1-ylethoxy)aniline (PubChem CID 139983014) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
PubChem CID139983014
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
SMILESNc1ccc(F)c(OCCN2CCCCC2)c1
InChIInChI=1S/C13H19FN2O/c14-12-5-4-11(15)10-13(12)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9,15H2
InChIKeyKRSHEVAGMXLIEJ-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.27
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

trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 114674892
3-(difluoromethyl)-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 63736374
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 62376118
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2-amino-3-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 83214753
2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
4-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 61102870
5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 103287799
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline?
The IUPAC name of 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline (CID 139983014) is 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline.
What is the SMILES notation for 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline?
The canonical SMILES for 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline is Nc1ccc(F)c(OCCN2CCCCC2)c1.
What is the InChIKey of 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline?
The InChIKey is KRSHEVAGMXLIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-5-4-11(15)10-13(12)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9,15H2.
What are the key properties of 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline?
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline has a molecular weight of 238.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-piperidin-1-ylethoxy)aniline is sourced from PubChem (CID 139983014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).