1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine

C13H26FNO — CID 155353287

IUPAC1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine
SMILESCCCCOCCCN1CCC(C)(F)CC1
InChIInChI=1S/C13H26FNO/c1-3-4-11-16-12-5-8-15-9-6-13(2,14)7-10-15/h3-12H2,1-2H3
InChIKeyCYIFNJYZFRPHFA-UHFFFAOYSA-N
MW231.35 g/mol
LogP3.02
Rot. Bonds7

About 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine

1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine (PubChem CID 155353287) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine
PubChem CID155353287
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine
SMILESCCCCOCCCN1CCC(C)(F)CC1
InChIInChI=1S/C13H26FNO/c1-3-4-11-16-12-5-8-15-9-6-13(2,14)7-10-15/h3-12H2,1-2H3
InChIKeyCYIFNJYZFRPHFA-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
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 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine (CID 155353287) is 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine is CCCCOCCCN1CCC(C)(F)CC1.
What is the InChIKey of 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine?
The InChIKey is CYIFNJYZFRPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-3-4-11-16-12-5-8-15-9-6-13(2,14)7-10-15/h3-12H2,1-2H3.
What are the key properties of 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine?
1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine has a molecular weight of 231.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 155353287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).