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

C12H14F2N2 — CID 2488349

IUPAC1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine
SMILESFc1ccc(C=NN2CCCCC2)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
InChIKeyROLMKFSXDVARIR-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.78
Rot. Bonds2

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

1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine (PubChem CID 2488349) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine
PubChem CID2488349
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine
SMILESFc1ccc(C=NN2CCCCC2)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
InChIKeyROLMKFSXDVARIR-UHFFFAOYSA-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 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine (CID 2488349) is 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine is Fc1ccc(C=NN2CCCCC2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine?
The InChIKey is ROLMKFSXDVARIR-UHFFFAOYSA-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.
What are the key properties of 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine?
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 1-(2,4-difluorophenyl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 2488349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).