4-fluoro-4-propylpiperidine-1-carbaldehyde

C9H16FNO — CID 164604159

IUPAC4-fluoro-4-propylpiperidine-1-carbaldehyde
SMILESCCCC1(F)CCN(C=O)CC1
InChIInChI=1S/C9H16FNO/c1-2-3-9(10)4-6-11(8-12)7-5-9/h8H,2-7H2,1H3
InChIKeyLIXCFOHLMQAAIH-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.75
Rot. Bonds3

About 4-fluoro-4-propylpiperidine-1-carbaldehyde

4-fluoro-4-propylpiperidine-1-carbaldehyde (PubChem CID 164604159) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-fluoro-4-propylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-4-propylpiperidine-1-carbaldehyde
PubChem CID164604159
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-fluoro-4-propylpiperidine-1-carbaldehyde
SMILESCCCC1(F)CCN(C=O)CC1
InChIInChI=1S/C9H16FNO/c1-2-3-9(10)4-6-11(8-12)7-5-9/h8H,2-7H2,1H3
InChIKeyLIXCFOHLMQAAIH-UHFFFAOYSA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.75
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-propylpiperidine-1-carbaldehyde?
The IUPAC name of 4-fluoro-4-propylpiperidine-1-carbaldehyde (CID 164604159) is 4-fluoro-4-propylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-4-propylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-fluoro-4-propylpiperidine-1-carbaldehyde is CCCC1(F)CCN(C=O)CC1.
What is the InChIKey of 4-fluoro-4-propylpiperidine-1-carbaldehyde?
The InChIKey is LIXCFOHLMQAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-3-9(10)4-6-11(8-12)7-5-9/h8H,2-7H2,1H3.
What are the key properties of 4-fluoro-4-propylpiperidine-1-carbaldehyde?
4-fluoro-4-propylpiperidine-1-carbaldehyde has a molecular weight of 173.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-propylpiperidine-1-carbaldehyde is sourced from PubChem (CID 164604159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).