N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine

C25H25FN2 — CID 86663887

IUPACN-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine
SMILESCN1CCC(F)(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25FN2/c1-28-18-16-25(26,17-19-28)22-12-14-23(15-13-22)27-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16-19H2,1H3
InChIKeyWZWXHLVBLAFEDT-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.75
Rot. Bonds4

About N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine

N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine (PubChem CID 86663887) has the molecular formula C25H25FN2 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine
PubChem CID86663887
Molecular FormulaC25H25FN2
Molecular Weight372.49 g/mol
Exact Mass372.20
IUPAC NameN-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine
SMILESCN1CCC(F)(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25FN2/c1-28-18-16-25(26,17-19-28)22-12-14-23(15-13-22)27-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16-19H2,1H3
InChIKeyWZWXHLVBLAFEDT-UHFFFAOYSA-N
XLogP5.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.75
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 N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine (CID 86663887) is N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine is CN1CCC(F)(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine?
The InChIKey is WZWXHLVBLAFEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2/c1-28-18-16-25(26,17-19-28)22-12-14-23(15-13-22)27-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16-19H2,1H3.
What are the key properties of N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine?
N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine has a molecular weight of 372.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 86663887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).