4-butoxy-3-fluoropiperidine

C9H18FNO — CID 122536938

IUPAC4-butoxy-3-fluoropiperidine
SMILESCCCCOC1CCNCC1F
InChIInChI=1S/C9H18FNO/c1-2-3-6-12-9-4-5-11-7-8(9)10/h8-9,11H,2-7H2,1H3
InChIKeyGHLXDMQEBYBKQR-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About 4-butoxy-3-fluoropiperidine

4-butoxy-3-fluoropiperidine (PubChem CID 122536938) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-butoxy-3-fluoropiperidine.

Molecular Properties

Compound Name4-butoxy-3-fluoropiperidine
PubChem CID122536938
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-butoxy-3-fluoropiperidine
SMILESCCCCOC1CCNCC1F
InChIInChI=1S/C9H18FNO/c1-2-3-6-12-9-4-5-11-7-8(9)10/h8-9,11H,2-7H2,1H3
InChIKeyGHLXDMQEBYBKQR-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 4-butoxy-3-fluoropiperidine?
The IUPAC name of 4-butoxy-3-fluoropiperidine (CID 122536938) is 4-butoxy-3-fluoropiperidine.
What is the SMILES notation for 4-butoxy-3-fluoropiperidine?
The canonical SMILES for 4-butoxy-3-fluoropiperidine is CCCCOC1CCNCC1F.
What is the InChIKey of 4-butoxy-3-fluoropiperidine?
The InChIKey is GHLXDMQEBYBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-3-6-12-9-4-5-11-7-8(9)10/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-butoxy-3-fluoropiperidine?
4-butoxy-3-fluoropiperidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-fluoropiperidine is sourced from PubChem (CID 122536938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).