4-but-2-en-2-ylpiperidine

C9H17N — CID 123368213

IUPAC4-but-2-en-2-ylpiperidine
SMILESCC=C(C)C1CCNCC1
InChIInChI=1S/C9H17N/c1-3-8(2)9-4-6-10-7-5-9/h3,9-10H,4-7H2,1-2H3
InChIKeyOKVJSJRMGUGXFG-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds1

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

4-but-2-en-2-ylpiperidine (PubChem CID 123368213) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-but-2-en-2-ylpiperidine.

Molecular Properties

Compound Name4-but-2-en-2-ylpiperidine
PubChem CID123368213
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-but-2-en-2-ylpiperidine
SMILESCC=C(C)C1CCNCC1
InChIInChI=1S/C9H17N/c1-3-8(2)9-4-6-10-7-5-9/h3,9-10H,4-7H2,1-2H3
InChIKeyOKVJSJRMGUGXFG-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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Related Compounds

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CID 49627
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
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CID 69895823
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
CID 129055443

Frequently Asked Questions

What is the IUPAC name of 4-but-2-en-2-ylpiperidine?
The IUPAC name of 4-but-2-en-2-ylpiperidine (CID 123368213) is 4-but-2-en-2-ylpiperidine.
What is the SMILES notation for 4-but-2-en-2-ylpiperidine?
The canonical SMILES for 4-but-2-en-2-ylpiperidine is CC=C(C)C1CCNCC1.
What is the InChIKey of 4-but-2-en-2-ylpiperidine?
The InChIKey is OKVJSJRMGUGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8(2)9-4-6-10-7-5-9/h3,9-10H,4-7H2,1-2H3.
What are the key properties of 4-but-2-en-2-ylpiperidine?
4-but-2-en-2-ylpiperidine 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-but-2-en-2-ylpiperidine is sourced from PubChem (CID 123368213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).