1-[(1E)-penta-1,4-dienyl]piperidine

C10H17N — CID 12927795

IUPAC1-[(1E)-penta-1,4-dienyl]piperidine
SMILESC=CC/C=C/N1CCCCC1
InChIInChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h2,5,8H,1,3-4,6-7,9-10H2/b8-5+
InChIKeyPIDDDXZZAJTLKB-VMPITWQZSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds3

About 1-[(1E)-penta-1,4-dienyl]piperidine

1-[(1E)-penta-1,4-dienyl]piperidine (PubChem CID 12927795) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-[(1E)-penta-1,4-dienyl]piperidine.

Molecular Properties

Compound Name1-[(1E)-penta-1,4-dienyl]piperidine
PubChem CID12927795
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-[(1E)-penta-1,4-dienyl]piperidine
SMILESC=CC/C=C/N1CCCCC1
InChIInChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h2,5,8H,1,3-4,6-7,9-10H2/b8-5+
InChIKeyPIDDDXZZAJTLKB-VMPITWQZSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.56
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-[(1E)-penta-1,4-dienyl]piperidine?
The IUPAC name of 1-[(1E)-penta-1,4-dienyl]piperidine (CID 12927795) is 1-[(1E)-penta-1,4-dienyl]piperidine.
What is the SMILES notation for 1-[(1E)-penta-1,4-dienyl]piperidine?
The canonical SMILES for 1-[(1E)-penta-1,4-dienyl]piperidine is C=CC/C=C/N1CCCCC1.
What is the InChIKey of 1-[(1E)-penta-1,4-dienyl]piperidine?
The InChIKey is PIDDDXZZAJTLKB-VMPITWQZSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h2,5,8H,1,3-4,6-7,9-10H2/b8-5+.
What are the key properties of 1-[(1E)-penta-1,4-dienyl]piperidine?
1-[(1E)-penta-1,4-dienyl]piperidine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-penta-1,4-dienyl]piperidine is sourced from PubChem (CID 12927795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).