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

C14H16F4N2O2 — CID 6903285

IUPAC(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
SMILESFC(F)Oc1ccc(/C=N/N2CCCCC2)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/b19-9+
InChIKeyYQEYNIKVWYQALE-DJKKODMXSA-N
MW320.29 g/mol
LogP3.71
Rot. Bonds6

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

(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine (PubChem CID 6903285) has the molecular formula C14H16F4N2O2 and a molecular weight of 320.29 g/mol. Its IUPAC name is (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
PubChem CID6903285
Molecular FormulaC14H16F4N2O2
Molecular Weight320.29 g/mol
Exact Mass320.11
IUPAC Name(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
SMILESFC(F)Oc1ccc(/C=N/N2CCCCC2)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/b19-9+
InChIKeyYQEYNIKVWYQALE-DJKKODMXSA-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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Related Compounds

1-[2,4-bis(difluoromethoxy)phenyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]methanimine
CID 2456166
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
(Z)-1-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 5413886
ethyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate
CID 6905460
tert-butyl N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]carbamate
CID 6905642
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-1-(4-methoxypiperidin-1-yl)prop-2-en-1-one
CID 55483597
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
1-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-(2-methylphenyl)thiourea
CID 7933567
2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
CID 135709522
2-[(E)-piperidin-1-yliminomethyl]benzoic acid
CID 24560902

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine (CID 6903285) is (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine is FC(F)Oc1ccc(/C=N/N2CCCCC2)c(OC(F)F)c1.
What is the InChIKey of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine?
The InChIKey is YQEYNIKVWYQALE-DJKKODMXSA-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/b19-9+.
What are the key properties of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine?
(E)-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 (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 6903285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).