4-penta-1,3-dienylpiperidine

C10H17N — CID 142547890

IUPAC4-penta-1,3-dienylpiperidine
SMILESCC=CC=CC1CCNCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-10-6-8-11-9-7-10/h2-5,10-11H,6-9H2,1H3
InChIKeyYKTSGIJQZSCJEN-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.12
Rot. Bonds2

About 4-penta-1,3-dienylpiperidine

4-penta-1,3-dienylpiperidine (PubChem CID 142547890) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-penta-1,3-dienylpiperidine.

Molecular Properties

Compound Name4-penta-1,3-dienylpiperidine
PubChem CID142547890
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-penta-1,3-dienylpiperidine
SMILESCC=CC=CC1CCNCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-10-6-8-11-9-7-10/h2-5,10-11H,6-9H2,1H3
InChIKeyYKTSGIJQZSCJEN-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 4-penta-1,3-dienylpiperidine?
The IUPAC name of 4-penta-1,3-dienylpiperidine (CID 142547890) is 4-penta-1,3-dienylpiperidine.
What is the SMILES notation for 4-penta-1,3-dienylpiperidine?
The canonical SMILES for 4-penta-1,3-dienylpiperidine is CC=CC=CC1CCNCC1.
What is the InChIKey of 4-penta-1,3-dienylpiperidine?
The InChIKey is YKTSGIJQZSCJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-5-10-6-8-11-9-7-10/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-penta-1,3-dienylpiperidine?
4-penta-1,3-dienylpiperidine has a molecular weight of 151.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-penta-1,3-dienylpiperidine is sourced from PubChem (CID 142547890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).