2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

C15H21F2N3 — CID 115506976

IUPAC2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1c(F)cc(F)cc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H21F2N3/c16-11-8-13(17)15(18)14(9-11)20-7-4-12(10-20)19-5-2-1-3-6-19/h8-9,12H,1-7,10,18H2
InChIKeyJGBOCTOODSTGGH-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.61
Rot. Bonds2

About 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 115506976) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID115506976
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1c(F)cc(F)cc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H21F2N3/c16-11-8-13(17)15(18)14(9-11)20-7-4-12(10-20)19-5-2-1-3-6-19/h8-9,12H,1-7,10,18H2
InChIKeyJGBOCTOODSTGGH-UHFFFAOYSA-N
XLogP2.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.61
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-difluoro-6-piperidin-1-ylaniline
CID 115506411
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66099728
5-chloro-4-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66077256
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol
CID 112624251
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
CID 78021133
2-(4-ethyl-3-methylpiperazin-1-yl)-4,6-difluoroaniline
CID 115507002
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 63170206
1-[1-[2-(bromomethyl)-4-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 107083325
1-[1-[4-(chloromethyl)-2-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 63170307

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (CID 115506976) is 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is Nc1c(F)cc(F)cc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is JGBOCTOODSTGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c16-11-8-13(17)15(18)14(9-11)20-7-4-12(10-20)19-5-2-1-3-6-19/h8-9,12H,1-7,10,18H2.
What are the key properties of 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 281.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 115506976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).