4-(2-methylprop-1-enyl)piperidine

C9H17N — CID 57416274

IUPAC4-(2-methylprop-1-enyl)piperidine
SMILESCC(C)=CC1CCNCC1
InChIInChI=1S/C9H17N/c1-8(2)7-9-3-5-10-6-4-9/h7,9-10H,3-6H2,1-2H3
InChIKeyIGROGBQGOHXEAG-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds1

About 4-(2-methylprop-1-enyl)piperidine

4-(2-methylprop-1-enyl)piperidine (PubChem CID 57416274) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)piperidine.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)piperidine
PubChem CID57416274
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-(2-methylprop-1-enyl)piperidine
SMILESCC(C)=CC1CCNCC1
InChIInChI=1S/C9H17N/c1-8(2)7-9-3-5-10-6-4-9/h7,9-10H,3-6H2,1-2H3
InChIKeyIGROGBQGOHXEAG-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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 4-(2-methylprop-1-enyl)piperidine?
The IUPAC name of 4-(2-methylprop-1-enyl)piperidine (CID 57416274) is 4-(2-methylprop-1-enyl)piperidine.
What is the SMILES notation for 4-(2-methylprop-1-enyl)piperidine?
The canonical SMILES for 4-(2-methylprop-1-enyl)piperidine is CC(C)=CC1CCNCC1.
What is the InChIKey of 4-(2-methylprop-1-enyl)piperidine?
The InChIKey is IGROGBQGOHXEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)7-9-3-5-10-6-4-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enyl)piperidine?
4-(2-methylprop-1-enyl)piperidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enyl)piperidine is sourced from PubChem (CID 57416274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).