4-but-3-en-2-ylpiperidine

C9H17N — CID 22080932

IUPAC4-but-3-en-2-ylpiperidine
SMILESC=CC(C)C1CCNCC1
InChIInChI=1S/C9H17N/c1-3-8(2)9-4-6-10-7-5-9/h3,8-10H,1,4-7H2,2H3
InChIKeyCKVFVJPGVKBGMY-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.81
Rot. Bonds2

About 4-but-3-en-2-ylpiperidine

4-but-3-en-2-ylpiperidine (PubChem CID 22080932) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-but-3-en-2-ylpiperidine.

Molecular Properties

Compound Name4-but-3-en-2-ylpiperidine
PubChem CID22080932
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-but-3-en-2-ylpiperidine
SMILESC=CC(C)C1CCNCC1
InChIInChI=1S/C9H17N/c1-3-8(2)9-4-6-10-7-5-9/h3,8-10H,1,4-7H2,2H3
InChIKeyCKVFVJPGVKBGMY-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.81
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-but-3-en-2-ylpiperidine?
The IUPAC name of 4-but-3-en-2-ylpiperidine (CID 22080932) is 4-but-3-en-2-ylpiperidine.
What is the SMILES notation for 4-but-3-en-2-ylpiperidine?
The canonical SMILES for 4-but-3-en-2-ylpiperidine is C=CC(C)C1CCNCC1.
What is the InChIKey of 4-but-3-en-2-ylpiperidine?
The InChIKey is CKVFVJPGVKBGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8(2)9-4-6-10-7-5-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 4-but-3-en-2-ylpiperidine?
4-but-3-en-2-ylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-ylpiperidine is sourced from PubChem (CID 22080932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).