4-(3,4-difluorophenyl)piperidine-4-carbaldehyde

C12H13F2NO — CID 18998830

IUPAC4-(3,4-difluorophenyl)piperidine-4-carbaldehyde
SMILESO=CC1(c2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C12H13F2NO/c13-10-2-1-9(7-11(10)14)12(8-16)3-5-15-6-4-12/h1-2,7-8,15H,3-6H2
InChIKeyHHNQAOVTXPQRNG-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.78
Rot. Bonds2

About 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde

4-(3,4-difluorophenyl)piperidine-4-carbaldehyde (PubChem CID 18998830) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)piperidine-4-carbaldehyde
PubChem CID18998830
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-(3,4-difluorophenyl)piperidine-4-carbaldehyde
SMILESO=CC1(c2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C12H13F2NO/c13-10-2-1-9(7-11(10)14)12(8-16)3-5-15-6-4-12/h1-2,7-8,15H,3-6H2
InChIKeyHHNQAOVTXPQRNG-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde?
The IUPAC name of 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde (CID 18998830) is 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde is O=CC1(c2ccc(F)c(F)c2)CCNCC1.
What is the InChIKey of 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde?
The InChIKey is HHNQAOVTXPQRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-10-2-1-9(7-11(10)14)12(8-16)3-5-15-6-4-12/h1-2,7-8,15H,3-6H2.
What are the key properties of 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde?
4-(3,4-difluorophenyl)piperidine-4-carbaldehyde has a molecular weight of 225.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 18998830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).