1-but-3-en-2-ylpiperidine

C9H17N — CID 11240526

IUPAC1-but-3-en-2-ylpiperidine
SMILESC=CC(C)N1CCCCC1
InChIInChI=1S/C9H17N/c1-3-9(2)10-7-5-4-6-8-10/h3,9H,1,4-8H2,2H3
InChIKeyAOLMMQXSSNTSQU-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds2

About 1-but-3-en-2-ylpiperidine

1-but-3-en-2-ylpiperidine (PubChem CID 11240526) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-but-3-en-2-ylpiperidine.

Molecular Properties

Compound Name1-but-3-en-2-ylpiperidine
PubChem CID11240526
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-but-3-en-2-ylpiperidine
SMILESC=CC(C)N1CCCCC1
InChIInChI=1S/C9H17N/c1-3-9(2)10-7-5-4-6-8-10/h3,9H,1,4-8H2,2H3
InChIKeyAOLMMQXSSNTSQU-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
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 1-but-3-en-2-ylpiperidine?
The IUPAC name of 1-but-3-en-2-ylpiperidine (CID 11240526) is 1-but-3-en-2-ylpiperidine.
What is the SMILES notation for 1-but-3-en-2-ylpiperidine?
The canonical SMILES for 1-but-3-en-2-ylpiperidine is C=CC(C)N1CCCCC1.
What is the InChIKey of 1-but-3-en-2-ylpiperidine?
The InChIKey is AOLMMQXSSNTSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-9(2)10-7-5-4-6-8-10/h3,9H,1,4-8H2,2H3.
What are the key properties of 1-but-3-en-2-ylpiperidine?
1-but-3-en-2-ylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-ylpiperidine is sourced from PubChem (CID 11240526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).