4-(1-fluorobut-2-ynyl)piperidine

C9H14FN — CID 130515854

IUPAC4-(1-fluorobut-2-ynyl)piperidine
SMILESCC#CC(F)C1CCNCC1
InChIInChI=1S/C9H14FN/c1-2-3-9(10)8-4-6-11-7-5-8/h8-9,11H,4-7H2,1H3
InChIKeyUMQFUVJLPVROKD-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.35
Rot. Bonds1

About 4-(1-fluorobut-2-ynyl)piperidine

4-(1-fluorobut-2-ynyl)piperidine (PubChem CID 130515854) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-(1-fluorobut-2-ynyl)piperidine.

Molecular Properties

Compound Name4-(1-fluorobut-2-ynyl)piperidine
PubChem CID130515854
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name4-(1-fluorobut-2-ynyl)piperidine
SMILESCC#CC(F)C1CCNCC1
InChIInChI=1S/C9H14FN/c1-2-3-9(10)8-4-6-11-7-5-8/h8-9,11H,4-7H2,1H3
InChIKeyUMQFUVJLPVROKD-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluorobut-2-ynyl)piperidine?
The IUPAC name of 4-(1-fluorobut-2-ynyl)piperidine (CID 130515854) is 4-(1-fluorobut-2-ynyl)piperidine.
What is the SMILES notation for 4-(1-fluorobut-2-ynyl)piperidine?
The canonical SMILES for 4-(1-fluorobut-2-ynyl)piperidine is CC#CC(F)C1CCNCC1.
What is the InChIKey of 4-(1-fluorobut-2-ynyl)piperidine?
The InChIKey is UMQFUVJLPVROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-2-3-9(10)8-4-6-11-7-5-8/h8-9,11H,4-7H2,1H3.
What are the key properties of 4-(1-fluorobut-2-ynyl)piperidine?
4-(1-fluorobut-2-ynyl)piperidine has a molecular weight of 155.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorobut-2-ynyl)piperidine is sourced from PubChem (CID 130515854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).