3-butan-2-ylidenepiperidine

C9H17N — CID 79879144

IUPAC3-butan-2-ylidenepiperidine
SMILESCCC(C)=C1CCCNC1
InChIInChI=1S/C9H17N/c1-3-8(2)9-5-4-6-10-7-9/h10H,3-7H2,1-2H3
InChIKeyATUGCXBHIXNKMC-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.10
Rot. Bonds1

About 3-butan-2-ylidenepiperidine

3-butan-2-ylidenepiperidine (PubChem CID 79879144) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-butan-2-ylidenepiperidine.

Molecular Properties

Compound Name3-butan-2-ylidenepiperidine
PubChem CID79879144
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-butan-2-ylidenepiperidine
SMILESCCC(C)=C1CCCNC1
InChIInChI=1S/C9H17N/c1-3-8(2)9-5-4-6-10-7-9/h10H,3-7H2,1-2H3
InChIKeyATUGCXBHIXNKMC-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylidenepiperidine?
The IUPAC name of 3-butan-2-ylidenepiperidine (CID 79879144) is 3-butan-2-ylidenepiperidine.
What is the SMILES notation for 3-butan-2-ylidenepiperidine?
The canonical SMILES for 3-butan-2-ylidenepiperidine is CCC(C)=C1CCCNC1.
What is the InChIKey of 3-butan-2-ylidenepiperidine?
The InChIKey is ATUGCXBHIXNKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8(2)9-5-4-6-10-7-9/h10H,3-7H2,1-2H3.
What are the key properties of 3-butan-2-ylidenepiperidine?
3-butan-2-ylidenepiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylidenepiperidine is sourced from PubChem (CID 79879144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).