2-(3-fluoropropoxymethyl)piperidine

C9H18FNO — CID 81114234

IUPAC2-(3-fluoropropoxymethyl)piperidine
SMILESFCCCOCC1CCCCN1
InChIInChI=1S/C9H18FNO/c10-5-3-7-12-8-9-4-1-2-6-11-9/h9,11H,1-8H2
InChIKeyFKPFUSZMFWRCKR-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds5

About 2-(3-fluoropropoxymethyl)piperidine

2-(3-fluoropropoxymethyl)piperidine (PubChem CID 81114234) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(3-fluoropropoxymethyl)piperidine.

Molecular Properties

Compound Name2-(3-fluoropropoxymethyl)piperidine
PubChem CID81114234
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(3-fluoropropoxymethyl)piperidine
SMILESFCCCOCC1CCCCN1
InChIInChI=1S/C9H18FNO/c10-5-3-7-12-8-9-4-1-2-6-11-9/h9,11H,1-8H2
InChIKeyFKPFUSZMFWRCKR-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropoxymethyl)piperidine?
The IUPAC name of 2-(3-fluoropropoxymethyl)piperidine (CID 81114234) is 2-(3-fluoropropoxymethyl)piperidine.
What is the SMILES notation for 2-(3-fluoropropoxymethyl)piperidine?
The canonical SMILES for 2-(3-fluoropropoxymethyl)piperidine is FCCCOCC1CCCCN1.
What is the InChIKey of 2-(3-fluoropropoxymethyl)piperidine?
The InChIKey is FKPFUSZMFWRCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-5-3-7-12-8-9-4-1-2-6-11-9/h9,11H,1-8H2.
What are the key properties of 2-(3-fluoropropoxymethyl)piperidine?
2-(3-fluoropropoxymethyl)piperidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropoxymethyl)piperidine is sourced from PubChem (CID 81114234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).