3-propan-2-ylidenepiperidine

C8H15N — CID 56972724

IUPAC3-propan-2-ylidenepiperidine
SMILESCC(C)=C1CCCNC1
InChIInChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h9H,3-6H2,1-2H3
InChIKeyJAYIKPQWYPFHNR-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.71
Rot. Bonds

About 3-propan-2-ylidenepiperidine

3-propan-2-ylidenepiperidine (PubChem CID 56972724) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-propan-2-ylidenepiperidine.

Molecular Properties

Compound Name3-propan-2-ylidenepiperidine
PubChem CID56972724
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-propan-2-ylidenepiperidine
SMILESCC(C)=C1CCCNC1
InChIInChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h9H,3-6H2,1-2H3
InChIKeyJAYIKPQWYPFHNR-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.71
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-propan-2-ylidenepiperidine?
The IUPAC name of 3-propan-2-ylidenepiperidine (CID 56972724) is 3-propan-2-ylidenepiperidine.
What is the SMILES notation for 3-propan-2-ylidenepiperidine?
The canonical SMILES for 3-propan-2-ylidenepiperidine is CC(C)=C1CCCNC1.
What is the InChIKey of 3-propan-2-ylidenepiperidine?
The InChIKey is JAYIKPQWYPFHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h9H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-ylidenepiperidine?
3-propan-2-ylidenepiperidine has a molecular weight of 125.21 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidenepiperidine is sourced from PubChem (CID 56972724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).