4-fluoro-1-(3-hydroperoxypropyl)piperidine

C8H16FNO2 — CID 146482007

IUPAC4-fluoro-1-(3-hydroperoxypropyl)piperidine
SMILESOOCCCN1CCC(F)CC1
InChIInChI=1S/C8H16FNO2/c9-8-2-5-10(6-3-8)4-1-7-12-11/h8,11H,1-7H2
InChIKeyRZUBBKADZDNQNQ-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.30
Rot. Bonds4

About 4-fluoro-1-(3-hydroperoxypropyl)piperidine

4-fluoro-1-(3-hydroperoxypropyl)piperidine (PubChem CID 146482007) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 4-fluoro-1-(3-hydroperoxypropyl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(3-hydroperoxypropyl)piperidine
PubChem CID146482007
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name4-fluoro-1-(3-hydroperoxypropyl)piperidine
SMILESOOCCCN1CCC(F)CC1
InChIInChI=1S/C8H16FNO2/c9-8-2-5-10(6-3-8)4-1-7-12-11/h8,11H,1-7H2
InChIKeyRZUBBKADZDNQNQ-UHFFFAOYSA-N
XLogP1.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-hydroperoxypropyl)piperidine?
The IUPAC name of 4-fluoro-1-(3-hydroperoxypropyl)piperidine (CID 146482007) is 4-fluoro-1-(3-hydroperoxypropyl)piperidine.
What is the SMILES notation for 4-fluoro-1-(3-hydroperoxypropyl)piperidine?
The canonical SMILES for 4-fluoro-1-(3-hydroperoxypropyl)piperidine is OOCCCN1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-(3-hydroperoxypropyl)piperidine?
The InChIKey is RZUBBKADZDNQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c9-8-2-5-10(6-3-8)4-1-7-12-11/h8,11H,1-7H2.
What are the key properties of 4-fluoro-1-(3-hydroperoxypropyl)piperidine?
4-fluoro-1-(3-hydroperoxypropyl)piperidine has a molecular weight of 177.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-hydroperoxypropyl)piperidine is sourced from PubChem (CID 146482007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).