4-butoxy-3-fluoro-1-methylpiperidine

C10H20FNO — CID 122536983

IUPAC4-butoxy-3-fluoro-1-methylpiperidine
SMILESCCCCOC1CCN(C)CC1F
InChIInChI=1S/C10H20FNO/c1-3-4-7-13-10-5-6-12(2)8-9(10)11/h9-10H,3-8H2,1-2H3
InChIKeyYGZWBGKWWBEAJM-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.85
Rot. Bonds4

About 4-butoxy-3-fluoro-1-methylpiperidine

4-butoxy-3-fluoro-1-methylpiperidine (PubChem CID 122536983) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-butoxy-3-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name4-butoxy-3-fluoro-1-methylpiperidine
PubChem CID122536983
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-butoxy-3-fluoro-1-methylpiperidine
SMILESCCCCOC1CCN(C)CC1F
InChIInChI=1S/C10H20FNO/c1-3-4-7-13-10-5-6-12(2)8-9(10)11/h9-10H,3-8H2,1-2H3
InChIKeyYGZWBGKWWBEAJM-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.85
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 4-butoxy-3-fluoro-1-methylpiperidine?
The IUPAC name of 4-butoxy-3-fluoro-1-methylpiperidine (CID 122536983) is 4-butoxy-3-fluoro-1-methylpiperidine.
What is the SMILES notation for 4-butoxy-3-fluoro-1-methylpiperidine?
The canonical SMILES for 4-butoxy-3-fluoro-1-methylpiperidine is CCCCOC1CCN(C)CC1F.
What is the InChIKey of 4-butoxy-3-fluoro-1-methylpiperidine?
The InChIKey is YGZWBGKWWBEAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-3-4-7-13-10-5-6-12(2)8-9(10)11/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-butoxy-3-fluoro-1-methylpiperidine?
4-butoxy-3-fluoro-1-methylpiperidine has a molecular weight of 189.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-fluoro-1-methylpiperidine is sourced from PubChem (CID 122536983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).