4-but-2-ynylidenepiperidine

C9H13N — CID 79879454

IUPAC4-but-2-ynylidenepiperidine
SMILESCC#CC=C1CCNCC1
InChIInChI=1S/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h4,10H,5-8H2,1H3
InChIKeyGUCIDEJGXNITNA-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.32
Rot. Bonds

About 4-but-2-ynylidenepiperidine

4-but-2-ynylidenepiperidine (PubChem CID 79879454) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-but-2-ynylidenepiperidine.

Molecular Properties

Compound Name4-but-2-ynylidenepiperidine
PubChem CID79879454
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-but-2-ynylidenepiperidine
SMILESCC#CC=C1CCNCC1
InChIInChI=1S/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h4,10H,5-8H2,1H3
InChIKeyGUCIDEJGXNITNA-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.32
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-but-2-ynylidenepiperidine?
The IUPAC name of 4-but-2-ynylidenepiperidine (CID 79879454) is 4-but-2-ynylidenepiperidine.
What is the SMILES notation for 4-but-2-ynylidenepiperidine?
The canonical SMILES for 4-but-2-ynylidenepiperidine is CC#CC=C1CCNCC1.
What is the InChIKey of 4-but-2-ynylidenepiperidine?
The InChIKey is GUCIDEJGXNITNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h4,10H,5-8H2,1H3.
What are the key properties of 4-but-2-ynylidenepiperidine?
4-but-2-ynylidenepiperidine has a molecular weight of 135.21 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-ynylidenepiperidine is sourced from PubChem (CID 79879454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).