4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

C16H21BrF2N2 — CID 107609439

IUPAC4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(NC2CCCC2C2CCCCN2)c(F)cc1Br
InChIInChI=1S/C16H21BrF2N2/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
InChIKeyJYDRTDBYWBVXGG-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.45
Rot. Bonds3

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

4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (PubChem CID 107609439) has the molecular formula C16H21BrF2N2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
PubChem CID107609439
Molecular FormulaC16H21BrF2N2
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(NC2CCCC2C2CCCCN2)c(F)cc1Br
InChIInChI=1S/C16H21BrF2N2/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
InChIKeyJYDRTDBYWBVXGG-UHFFFAOYSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.45
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

2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537662
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79540376
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
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The IUPAC name of 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (CID 107609439) is 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is Fc1cc(NC2CCCC2C2CCCCN2)c(F)cc1Br.
What is the InChIKey of 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The InChIKey is JYDRTDBYWBVXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF2N2/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 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline has a molecular weight of 359.26 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 107609439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).