2,4-difluoro-6-piperidin-1-ylaniline

C11H14F2N2 — CID 115506411

IUPAC2,4-difluoro-6-piperidin-1-ylaniline
SMILESNc1c(F)cc(F)cc1N1CCCCC1
InChIInChI=1S/C11H14F2N2/c12-8-6-9(13)11(14)10(7-8)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKeyOWTQVUVZEFVQTI-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.54
Rot. Bonds1

About 2,4-difluoro-6-piperidin-1-ylaniline

2,4-difluoro-6-piperidin-1-ylaniline (PubChem CID 115506411) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,4-difluoro-6-piperidin-1-ylaniline.

Molecular Properties

Compound Name2,4-difluoro-6-piperidin-1-ylaniline
PubChem CID115506411
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name2,4-difluoro-6-piperidin-1-ylaniline
SMILESNc1c(F)cc(F)cc1N1CCCCC1
InChIInChI=1S/C11H14F2N2/c12-8-6-9(13)11(14)10(7-8)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKeyOWTQVUVZEFVQTI-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-6-(1,4-oxazepan-4-yl)aniline
CID 115506948
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4,6-difluoroaniline
CID 113325166
2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 115506976
1-(2,5-difluorophenyl)piperidine
CID 22638080
2-(azocan-1-yl)-5-bromo-4-fluoroaniline
CID 66110484
4,5-difluoro-2-pyrrolidin-1-ylaniline
CID 130536593
4-(2-amino-3,5-difluorophenyl)-1-methylpiperazin-2-one
CID 113325320
2-(3,4-dimethoxypyrrolidin-1-yl)-4,6-difluoroaniline
CID 103530569
tert-butyl 4-(2-amino-3,5-difluorophenyl)piperazine-1-carboxylate
CID 104933334
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
5-fluoro-2-piperidin-1-ylaniline
CID 6485403

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-piperidin-1-ylaniline?
The IUPAC name of 2,4-difluoro-6-piperidin-1-ylaniline (CID 115506411) is 2,4-difluoro-6-piperidin-1-ylaniline.
What is the SMILES notation for 2,4-difluoro-6-piperidin-1-ylaniline?
The canonical SMILES for 2,4-difluoro-6-piperidin-1-ylaniline is Nc1c(F)cc(F)cc1N1CCCCC1.
What is the InChIKey of 2,4-difluoro-6-piperidin-1-ylaniline?
The InChIKey is OWTQVUVZEFVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-8-6-9(13)11(14)10(7-8)15-4-2-1-3-5-15/h6-7H,1-5,14H2.
What are the key properties of 2,4-difluoro-6-piperidin-1-ylaniline?
2,4-difluoro-6-piperidin-1-ylaniline has a molecular weight of 212.24 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-piperidin-1-ylaniline is sourced from PubChem (CID 115506411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).