1-penta-2,4-dien-2-ylpiperidine

C10H17N — CID 57091192

IUPAC1-penta-2,4-dien-2-ylpiperidine
SMILESC=CC=C(C)N1CCCCC1
InChIInChI=1S/C10H17N/c1-3-7-10(2)11-8-5-4-6-9-11/h3,7H,1,4-6,8-9H2,2H3
InChIKeyRYJHJRGPBWPDAF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds2

About 1-penta-2,4-dien-2-ylpiperidine

1-penta-2,4-dien-2-ylpiperidine (PubChem CID 57091192) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-penta-2,4-dien-2-ylpiperidine.

Molecular Properties

Compound Name1-penta-2,4-dien-2-ylpiperidine
PubChem CID57091192
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-penta-2,4-dien-2-ylpiperidine
SMILESC=CC=C(C)N1CCCCC1
InChIInChI=1S/C10H17N/c1-3-7-10(2)11-8-5-4-6-9-11/h3,7H,1,4-6,8-9H2,2H3
InChIKeyRYJHJRGPBWPDAF-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-penta-2,4-dien-2-ylpiperidine?
The IUPAC name of 1-penta-2,4-dien-2-ylpiperidine (CID 57091192) is 1-penta-2,4-dien-2-ylpiperidine.
What is the SMILES notation for 1-penta-2,4-dien-2-ylpiperidine?
The canonical SMILES for 1-penta-2,4-dien-2-ylpiperidine is C=CC=C(C)N1CCCCC1.
What is the InChIKey of 1-penta-2,4-dien-2-ylpiperidine?
The InChIKey is RYJHJRGPBWPDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-7-10(2)11-8-5-4-6-9-11/h3,7H,1,4-6,8-9H2,2H3.
What are the key properties of 1-penta-2,4-dien-2-ylpiperidine?
1-penta-2,4-dien-2-ylpiperidine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-2,4-dien-2-ylpiperidine is sourced from PubChem (CID 57091192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).