2,6-difluoro-3-piperidin-4-ylaniline

C11H14F2N2 — CID 165455594

IUPAC2,6-difluoro-3-piperidin-4-ylaniline
SMILESNc1c(F)ccc(C2CCNCC2)c1F
InChIInChI=1S/C11H14F2N2/c12-9-2-1-8(10(13)11(9)14)7-3-5-15-6-4-7/h1-2,7,15H,3-6,14H2
InChIKeyVFAQYZVNACOVMK-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.01
Rot. Bonds1

About 2,6-difluoro-3-piperidin-4-ylaniline

2,6-difluoro-3-piperidin-4-ylaniline (PubChem CID 165455594) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,6-difluoro-3-piperidin-4-ylaniline.

Molecular Properties

Compound Name2,6-difluoro-3-piperidin-4-ylaniline
PubChem CID165455594
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name2,6-difluoro-3-piperidin-4-ylaniline
SMILESNc1c(F)ccc(C2CCNCC2)c1F
InChIInChI=1S/C11H14F2N2/c12-9-2-1-8(10(13)11(9)14)7-3-5-15-6-4-7/h1-2,7,15H,3-6,14H2
InChIKeyVFAQYZVNACOVMK-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-piperidin-4-ylaniline?
The IUPAC name of 2,6-difluoro-3-piperidin-4-ylaniline (CID 165455594) is 2,6-difluoro-3-piperidin-4-ylaniline.
What is the SMILES notation for 2,6-difluoro-3-piperidin-4-ylaniline?
The canonical SMILES for 2,6-difluoro-3-piperidin-4-ylaniline is Nc1c(F)ccc(C2CCNCC2)c1F.
What is the InChIKey of 2,6-difluoro-3-piperidin-4-ylaniline?
The InChIKey is VFAQYZVNACOVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-9-2-1-8(10(13)11(9)14)7-3-5-15-6-4-7/h1-2,7,15H,3-6,14H2.
What are the key properties of 2,6-difluoro-3-piperidin-4-ylaniline?
2,6-difluoro-3-piperidin-4-ylaniline has a molecular weight of 212.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-piperidin-4-ylaniline is sourced from PubChem (CID 165455594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).