2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

C16H21F3N2 — CID 79537662

IUPAC2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(F)c(NC2CCCC2C2CCCCN2)cc1F
InChIInChI=1S/C16H21F3N2/c17-11-8-13(19)16(9-12(11)18)21-15-6-3-4-10(15)14-5-1-2-7-20-14/h8-10,14-15,20-21H,1-7H2
InChIKeyOZWSEPFGCGYGJE-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.83
Rot. Bonds3

About 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (PubChem CID 79537662) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
PubChem CID79537662
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(F)c(NC2CCCC2C2CCCCN2)cc1F
InChIInChI=1S/C16H21F3N2/c17-11-8-13(19)16(9-12(11)18)21-15-6-3-4-10(15)14-5-1-2-7-20-14/h8-10,14-15,20-21H,1-7H2
InChIKeyOZWSEPFGCGYGJE-UHFFFAOYSA-N
XLogP3.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79540376
[2-[(2-piperidin-2-ylcyclopentyl)amino]phenyl]methanol
CID 79545669

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The IUPAC name of 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (CID 79537662) is 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is Fc1cc(F)c(NC2CCCC2C2CCCCN2)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The InChIKey is OZWSEPFGCGYGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-11-8-13(19)16(9-12(11)18)21-15-6-3-4-10(15)14-5-1-2-7-20-14/h8-10,14-15,20-21H,1-7H2.
What are the key properties of 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline has a molecular weight of 298.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79537662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).