2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline

C19H21F2N3 — CID 90666446

IUPAC2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline
SMILESFc1ccc(F)c(NN=C2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H21F2N3/c20-16-6-7-18(21)19(14-16)23-22-17-9-12-24(13-10-17)11-8-15-4-2-1-3-5-15/h1-7,14,23H,8-13H2
InChIKeyWQYXRWAJUARDIJ-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.07
Rot. Bonds5

About 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline

2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline (PubChem CID 90666446) has the molecular formula C19H21F2N3 and a molecular weight of 329.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline
PubChem CID90666446
Molecular FormulaC19H21F2N3
Molecular Weight329.39 g/mol
Exact Mass329.17
IUPAC Name2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline
SMILESFc1ccc(F)c(NN=C2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H21F2N3/c20-16-6-7-18(21)19(14-16)23-22-17-9-12-24(13-10-17)11-8-15-4-2-1-3-5-15/h1-7,14,23H,8-13H2
InChIKeyWQYXRWAJUARDIJ-UHFFFAOYSA-N
XLogP4.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline?
The IUPAC name of 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline (CID 90666446) is 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline.
What is the SMILES notation for 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline?
The canonical SMILES for 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline is Fc1ccc(F)c(NN=C2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline?
The InChIKey is WQYXRWAJUARDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3/c20-16-6-7-18(21)19(14-16)23-22-17-9-12-24(13-10-17)11-8-15-4-2-1-3-5-15/h1-7,14,23H,8-13H2.
What are the key properties of 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline?
2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline has a molecular weight of 329.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline is sourced from PubChem (CID 90666446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).