N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine

C25H25FN2O — CID 11523926

IUPACN-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine
SMILESCN1C(c2ccccc2)CC(=NOCc2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C25H25FN2O/c1-28-24(19-10-4-2-5-11-19)16-22(17-25(28)20-12-6-3-7-13-20)27-29-18-21-14-8-9-15-23(21)26/h2-15,24-25H,16-18H2,1H3
InChIKeyNMMDWDWWZJXGEV-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.91
Rot. Bonds5

About N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine

N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine (PubChem CID 11523926) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine
PubChem CID11523926
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC NameN-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine
SMILESCN1C(c2ccccc2)CC(=NOCc2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C25H25FN2O/c1-28-24(19-10-4-2-5-11-19)16-22(17-25(28)20-12-6-3-7-13-20)27-29-18-21-14-8-9-15-23(21)26/h2-15,24-25H,16-18H2,1H3
InChIKeyNMMDWDWWZJXGEV-UHFFFAOYSA-N
XLogP5.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-Benzhydryl-N-[1-(4-fluoro-benzyl)-piperidin-4-ylmethyl]-hydroxylamine
CID 10272588
N-[(4-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 46881578
3-(4-Benzhydrylpiperazin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 145953876
N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine
CID 338334
2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
CID 45267782
(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
CID 45269525
3,5-dimethyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
CID 45269526
(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine
CID 45269553
3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45270375
(E)-3-ethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272106
2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272107
(E)-3-methyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45272940

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine?
The IUPAC name of N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine (CID 11523926) is N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine.
What is the SMILES notation for N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine?
The canonical SMILES for N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine is CN1C(c2ccccc2)CC(=NOCc2ccccc2F)CC1c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine?
The InChIKey is NMMDWDWWZJXGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-28-24(19-10-4-2-5-11-19)16-22(17-25(28)20-12-6-3-7-13-20)27-29-18-21-14-8-9-15-23(21)26/h2-15,24-25H,16-18H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine?
N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine has a molecular weight of 388.49 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine is sourced from PubChem (CID 11523926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).