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

C9H18FNO — CID 137458763

IUPAC4-fluoro-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCC(F)CC1
InChIInChI=1S/C9H18FNO/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3
InChIKeyYJGJVHKTRHFSGO-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds4

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

4-fluoro-1-(3-methoxypropyl)piperidine (PubChem CID 137458763) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-fluoro-1-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(3-methoxypropyl)piperidine
PubChem CID137458763
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-fluoro-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCC(F)CC1
InChIInChI=1S/C9H18FNO/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3
InChIKeyYJGJVHKTRHFSGO-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-1-(3-methoxypropyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-methoxypropyl)piperidine?
The IUPAC name of 4-fluoro-1-(3-methoxypropyl)piperidine (CID 137458763) is 4-fluoro-1-(3-methoxypropyl)piperidine.
What is the SMILES notation for 4-fluoro-1-(3-methoxypropyl)piperidine?
The canonical SMILES for 4-fluoro-1-(3-methoxypropyl)piperidine is COCCCN1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-(3-methoxypropyl)piperidine?
The InChIKey is YJGJVHKTRHFSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3.
What are the key properties of 4-fluoro-1-(3-methoxypropyl)piperidine?
4-fluoro-1-(3-methoxypropyl)piperidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 137458763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).