3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

C16H21F3N2 — CID 79537664

IUPAC3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(NC2CCCC2C2CCCCN2)cc(F)c1F
InChIInChI=1S/C16H21F3N2/c17-12-8-10(9-13(18)16(12)19)21-15-6-3-4-11(15)14-5-1-2-7-20-14/h8-9,11,14-15,20-21H,1-7H2
InChIKeyKRJCPSKOSYBKOQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.83
Rot. Bonds3

About 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (PubChem CID 79537664) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
PubChem CID79537664
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(NC2CCCC2C2CCCCN2)cc(F)c1F
InChIInChI=1S/C16H21F3N2/c17-12-8-10(9-13(18)16(12)19)21-15-6-3-4-11(15)14-5-1-2-7-20-14/h8-9,11,14-15,20-21H,1-7H2
InChIKeyKRJCPSKOSYBKOQ-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_2', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537662
3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543612
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
N-(2-piperidin-2-ylcyclopentyl)pyrimidin-5-amine
CID 107587753
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
4-[(2-piperidin-2-ylcyclohexyl)amino]phenol
CID 79553578
N-(2-piperidin-2-ylcyclopentyl)thiophen-3-amine
CID 79545411
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The IUPAC name of 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (CID 79537664) is 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is Fc1cc(NC2CCCC2C2CCCCN2)cc(F)c1F.
What is the InChIKey of 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The InChIKey is KRJCPSKOSYBKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-12-8-10(9-13(18)16(12)19)21-15-6-3-4-11(15)14-5-1-2-7-20-14/h8-9,11,14-15,20-21H,1-7H2.
What are the key properties of 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
3,4,5-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 3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79537664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).