3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

C16H22F2N2 — CID 79545806

IUPAC3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(F)cc(NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C16H22F2N2/c17-11-8-12(18)10-13(9-11)20-16-6-3-4-14(16)15-5-1-2-7-19-15/h8-10,14-16,19-20H,1-7H2
InChIKeyWSKGJOLOXATXKZ-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.69
Rot. Bonds3

About 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (PubChem CID 79545806) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
PubChem CID79545806
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(F)cc(NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C16H22F2N2/c17-11-8-12(18)10-13(9-11)20-16-6-3-4-14(16)15-5-1-2-7-19-15/h8-10,14-16,19-20H,1-7H2
InChIKeyWSKGJOLOXATXKZ-UHFFFAOYSA-N
XLogP3.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543612
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172
2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537662
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
N-(2-piperidin-2-ylcyclopentyl)pyrimidin-5-amine
CID 107587753
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
4-[(2-piperidin-2-ylcyclohexyl)amino]phenol
CID 79553578
N-(2-piperidin-2-ylcyclopentyl)thiophen-3-amine
CID 79545411
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The IUPAC name of 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (CID 79545806) is 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is Fc1cc(F)cc(NC2CCCC2C2CCCCN2)c1.
What is the InChIKey of 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The InChIKey is WSKGJOLOXATXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-11-8-12(18)10-13(9-11)20-16-6-3-4-14(16)15-5-1-2-7-19-15/h8-10,14-16,19-20H,1-7H2.
What are the key properties of 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline has a molecular weight of 280.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79545806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).