(E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine

C12H14F2N2 — CID 6906562

IUPAC(E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine
SMILESFc1ccc(/C=N/N2CCCCC2)c(F)c1
InChIInChI=1S/C12H14F2N2/c13-11-5-4-10(12(14)8-11)9-15-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2/b15-9+
InChIKeyROLMKFSXDVARIR-OQLLNIDSSA-N
MW224.25 g/mol
LogP2.78
Rot. Bonds2

About (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine

(E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine (PubChem CID 6906562) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine
PubChem CID6906562
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name(E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine
SMILESFc1ccc(/C=N/N2CCCCC2)c(F)c1
InChIInChI=1S/C12H14F2N2/c13-11-5-4-10(12(14)8-11)9-15-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2/b15-9+
InChIKeyROLMKFSXDVARIR-OQLLNIDSSA-N
XLogP2.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
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 (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine (CID 6906562) is (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine is Fc1ccc(/C=N/N2CCCCC2)c(F)c1.
What is the InChIKey of (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine?
The InChIKey is ROLMKFSXDVARIR-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H14F2N2/c13-11-5-4-10(12(14)8-11)9-15-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2/b15-9+.
What are the key properties of (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine?
(E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine has a molecular weight of 224.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 6906562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).