4-[(E)-but-1-enyl]piperidine

C9H17N — CID 22015652

IUPAC4-[(E)-but-1-enyl]piperidine
SMILESCC/C=C/C1CCNCC1
InChIInChI=1S/C9H17N/c1-2-3-4-9-5-7-10-8-6-9/h3-4,9-10H,2,5-8H2,1H3/b4-3+
InChIKeyUREPFJWGXBWRMX-ONEGZZNKSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds2

About 4-[(E)-but-1-enyl]piperidine

4-[(E)-but-1-enyl]piperidine (PubChem CID 22015652) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]piperidine.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]piperidine
PubChem CID22015652
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-[(E)-but-1-enyl]piperidine
SMILESCC/C=C/C1CCNCC1
InChIInChI=1S/C9H17N/c1-2-3-4-9-5-7-10-8-6-9/h3-4,9-10H,2,5-8H2,1H3/b4-3+
InChIKeyUREPFJWGXBWRMX-ONEGZZNKSA-N
XLogP1.95
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 ≤ 51.95
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

1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
3-(Prop-2-en-1-yl)piperidine
CID 19097419
4-Ethenylpiperidine hydrochloride
CID 54592711
4-Ethenylpiperidine
CID 421846
7-Azaspiro[3.5]non-1-ene hydrochloride
CID 165652470
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
3-Azabicyclo[3.3.1]non-6-ene
CID 55300222
2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 67757833
Di(2 propenyl)piperidine
CID 69724067
2-Azabicyclo[3.2.1]oct-6-ene
CID 144450
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]piperidine?
The IUPAC name of 4-[(E)-but-1-enyl]piperidine (CID 22015652) is 4-[(E)-but-1-enyl]piperidine.
What is the SMILES notation for 4-[(E)-but-1-enyl]piperidine?
The canonical SMILES for 4-[(E)-but-1-enyl]piperidine is CC/C=C/C1CCNCC1.
What is the InChIKey of 4-[(E)-but-1-enyl]piperidine?
The InChIKey is UREPFJWGXBWRMX-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-4-9-5-7-10-8-6-9/h3-4,9-10H,2,5-8H2,1H3/b4-3+.
What are the key properties of 4-[(E)-but-1-enyl]piperidine?
4-[(E)-but-1-enyl]piperidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]piperidine is sourced from PubChem (CID 22015652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).