1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine

C26H25F2NO — CID 23326050

IUPAC1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine
SMILESCOC1CN(Cc2ccccc2)CCC1=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H25F2NO/c1-30-25-18-29(17-19-5-3-2-4-6-19)16-15-24(25)26(20-7-11-22(27)12-8-20)21-9-13-23(28)14-10-21/h2-14,25H,15-18H2,1H3
InChIKeyDZGPCNXKXNMXDL-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.69
Rot. Bonds5

About 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine

1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine (PubChem CID 23326050) has the molecular formula C26H25F2NO and a molecular weight of 405.49 g/mol. Its IUPAC name is 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine.

Molecular Properties

Compound Name1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine
PubChem CID23326050
Molecular FormulaC26H25F2NO
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine
SMILESCOC1CN(Cc2ccccc2)CCC1=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H25F2NO/c1-30-25-18-29(17-19-5-3-2-4-6-19)16-15-24(25)26(20-7-11-22(27)12-8-20)21-9-13-23(28)14-10-21/h2-14,25H,15-18H2,1H3
InChIKeyDZGPCNXKXNMXDL-UHFFFAOYSA-N
XLogP5.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
1-benzyl-4-[(4-fluorophenyl)methylidene]-3-methylpiperidine
CID 69121840
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 78832355
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
1-benzyl-3-phenylmethoxypiperidin-4-one
CID 15096753
ethane;methyl 1-benzyl-4-oxopiperidine-3-carboxylate
CID 142959894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine?
The IUPAC name of 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine (CID 23326050) is 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine.
What is the SMILES notation for 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine?
The canonical SMILES for 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine is COC1CN(Cc2ccccc2)CCC1=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine?
The InChIKey is DZGPCNXKXNMXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO/c1-30-25-18-29(17-19-5-3-2-4-6-19)16-15-24(25)26(20-7-11-22(27)12-8-20)21-9-13-23(28)14-10-21/h2-14,25H,15-18H2,1H3.
What are the key properties of 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine?
1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine has a molecular weight of 405.49 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[bis(4-fluorophenyl)methylidene]-3-methoxypiperidine is sourced from PubChem (CID 23326050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).