1-pent-1-en-3-ylpiperidine

C10H19N — CID 68590098

IUPAC1-pent-1-en-3-ylpiperidine
SMILESC=CC(CC)N1CCCCC1
InChIInChI=1S/C10H19N/c1-3-10(4-2)11-8-6-5-7-9-11/h3,10H,1,4-9H2,2H3
InChIKeyQEQSXWIHJUHWRT-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds3

About 1-pent-1-en-3-ylpiperidine

1-pent-1-en-3-ylpiperidine (PubChem CID 68590098) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-pent-1-en-3-ylpiperidine.

Molecular Properties

Compound Name1-pent-1-en-3-ylpiperidine
PubChem CID68590098
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-pent-1-en-3-ylpiperidine
SMILESC=CC(CC)N1CCCCC1
InChIInChI=1S/C10H19N/c1-3-10(4-2)11-8-6-5-7-9-11/h3,10H,1,4-9H2,2H3
InChIKeyQEQSXWIHJUHWRT-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
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-pent-1-en-3-ylpiperidine?
The IUPAC name of 1-pent-1-en-3-ylpiperidine (CID 68590098) is 1-pent-1-en-3-ylpiperidine.
What is the SMILES notation for 1-pent-1-en-3-ylpiperidine?
The canonical SMILES for 1-pent-1-en-3-ylpiperidine is C=CC(CC)N1CCCCC1.
What is the InChIKey of 1-pent-1-en-3-ylpiperidine?
The InChIKey is QEQSXWIHJUHWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-10(4-2)11-8-6-5-7-9-11/h3,10H,1,4-9H2,2H3.
What are the key properties of 1-pent-1-en-3-ylpiperidine?
1-pent-1-en-3-ylpiperidine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-en-3-ylpiperidine is sourced from PubChem (CID 68590098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).