1-(2,4-difluorophenyl)piperidine-4-carbaldehyde

C12H13F2NO — CID 18423345

IUPAC1-(2,4-difluorophenyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C12H13F2NO/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7-9H,3-6H2
InChIKeyQHHHQTACYZJDTI-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.38
Rot. Bonds2

About 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde

1-(2,4-difluorophenyl)piperidine-4-carbaldehyde (PubChem CID 18423345) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)piperidine-4-carbaldehyde
PubChem CID18423345
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(2,4-difluorophenyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C12H13F2NO/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7-9H,3-6H2
InChIKeyQHHHQTACYZJDTI-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde (CID 18423345) is 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde is O=CC1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde?
The InChIKey is QHHHQTACYZJDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7-9H,3-6H2.
What are the key properties of 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde?
1-(2,4-difluorophenyl)piperidine-4-carbaldehyde has a molecular weight of 225.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 18423345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).