1-but-3-enylpiperidine

C9H17N — CID 4562282

IUPAC1-but-3-enylpiperidine
SMILESC=CCCN1CCCCC1
InChIInChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2H,1,3-9H2
InChIKeyFHQXYXLCCMNTJU-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds3

About 1-but-3-enylpiperidine

1-but-3-enylpiperidine (PubChem CID 4562282) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-but-3-enylpiperidine.

Molecular Properties

Compound Name1-but-3-enylpiperidine
PubChem CID4562282
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-but-3-enylpiperidine
SMILESC=CCCN1CCCCC1
InChIInChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2H,1,3-9H2
InChIKeyFHQXYXLCCMNTJU-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

Analyze 1-but-3-enylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Prop-2-en-1-yl)piperidine
CID 139756
1-(1-Butenyl)piperidine
CID 5357943
1-Piperidyl-2-butene
CID 79100
1-Piperidino-1-pentene
CID 5371371
2-Ethenyl-1-prop-2-enylpiperidine
CID 10773146
1-[(E)-hex-1-enyl]piperidine
CID 12794204
(1-But-3-enylpiperidin-2-yl)-trimethylsilane
CID 138968084
1-(Pent-1-en-1-yl)piperidine
CID 579870
Piperidine, 1-(2,7-octadienyl)-
CID 4248884
1-(1E)-1-Hepten-1-ylpiperidine
CID 10888552
1-[(E)-3-methylbut-1-enyl]piperidine
CID 12499740
N,N-diallylpiperidinium bromide
CID 13153002

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enylpiperidine?
The IUPAC name of 1-but-3-enylpiperidine (CID 4562282) is 1-but-3-enylpiperidine.
What is the SMILES notation for 1-but-3-enylpiperidine?
The canonical SMILES for 1-but-3-enylpiperidine is C=CCCN1CCCCC1.
What is the InChIKey of 1-but-3-enylpiperidine?
The InChIKey is FHQXYXLCCMNTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2H,1,3-9H2.
What are the key properties of 1-but-3-enylpiperidine?
1-but-3-enylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enylpiperidine is sourced from PubChem (CID 4562282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).