4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde

C12H13F2NO — CID 145287368

IUPAC4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H13F2NO/c13-11-3-1-10(2-4-11)12(14)5-7-15(9-16)8-6-12/h1-4,9H,5-8H2
InChIKeyBGJDENPPCYMSJO-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.24
Rot. Bonds2

About 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde

4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde (PubChem CID 145287368) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde
PubChem CID145287368
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H13F2NO/c13-11-3-1-10(2-4-11)12(14)5-7-15(9-16)8-6-12/h1-4,9H,5-8H2
InChIKeyBGJDENPPCYMSJO-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde (CID 145287368) is 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde is O=CN1CCC(F)(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
The InChIKey is BGJDENPPCYMSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-11-3-1-10(2-4-11)12(14)5-7-15(9-16)8-6-12/h1-4,9H,5-8H2.
What are the key properties of 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde?
4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde has a molecular weight of 225.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 145287368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).