2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine

C13H16F2N2 — CID 143994653

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine
SMILES[H]/N=C/C(c1ccccc1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F2N2/c14-13(15)6-8-17(9-7-13)12(10-16)11-4-2-1-3-5-11/h1-5,10,12,16H,6-9H2/b16-10+
InChIKeyOGLOTOOHZLABLT-MHWRWJLKSA-N
MW238.28 g/mol
LogP3.11
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine

2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine (PubChem CID 143994653) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine
PubChem CID143994653
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine
SMILES[H]/N=C/C(c1ccccc1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F2N2/c14-13(15)6-8-17(9-7-13)12(10-16)11-4-2-1-3-5-11/h1-5,10,12,16H,6-9H2/b16-10+
InChIKeyOGLOTOOHZLABLT-MHWRWJLKSA-N
XLogP3.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine (CID 143994653) is 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine is [H]/N=C/C(c1ccccc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine?
The InChIKey is OGLOTOOHZLABLT-MHWRWJLKSA-N. The full InChI is InChI=1S/C13H16F2N2/c14-13(15)6-8-17(9-7-13)12(10-16)11-4-2-1-3-5-11/h1-5,10,12,16H,6-9H2/b16-10+.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine?
2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine has a molecular weight of 238.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-phenylethanimine is sourced from PubChem (CID 143994653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).