1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine

C14H16F4N2O2 — CID 2379009

IUPAC1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
SMILESFC(F)Oc1ccc(C=NN2CCCCC2)c(OC(F)F)c1
InChIInChI=1S/C14H16F4N2O2/c15-13(16)21-11-5-4-10(12(8-11)22-14(17)18)9-19-20-6-2-1-3-7-20/h4-5,8-9,13-14H,1-3,6-7H2
InChIKeyYQEYNIKVWYQALE-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.71
Rot. Bonds6

About 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine

1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine (PubChem CID 2379009) has the molecular formula C14H16F4N2O2 and a molecular weight of 320.29 g/mol. Its IUPAC name is 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
PubChem CID2379009
Molecular FormulaC14H16F4N2O2
Molecular Weight320.29 g/mol
Exact Mass320.11
IUPAC Name1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
SMILESFC(F)Oc1ccc(C=NN2CCCCC2)c(OC(F)F)c1
InChIInChI=1S/C14H16F4N2O2/c15-13(16)21-11-5-4-10(12(8-11)22-14(17)18)9-19-20-6-2-1-3-7-20/h4-5,8-9,13-14H,1-3,6-7H2
InChIKeyYQEYNIKVWYQALE-UHFFFAOYSA-N
XLogP3.71
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine?
The IUPAC name of 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine (CID 2379009) is 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine.
What is the SMILES notation for 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine?
The canonical SMILES for 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine is FC(F)Oc1ccc(C=NN2CCCCC2)c(OC(F)F)c1.
What is the InChIKey of 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine?
The InChIKey is YQEYNIKVWYQALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O2/c15-13(16)21-11-5-4-10(12(8-11)22-14(17)18)9-19-20-6-2-1-3-7-20/h4-5,8-9,13-14H,1-3,6-7H2.
What are the key properties of 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine?
1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine has a molecular weight of 320.29 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 2379009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).