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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Related Compounds

3-[(E)-prop-1-enyl]pyrrolidine
CID 87940337
4-[(E)-but-1-enyl]piperidine
CID 22015652
3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
CID 126845234
(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 15071617
(E)-3-pyrrolidin-3-ylprop-2-enal
CID 115011111
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
(4E)-hexa-2,4-diene
CID 22435466
4-piperidin-4-ylpiperidine;trihydrochloride
CID 172779803
bis(piperidine-4-carbaldehyde);hydrate;tetrahydrobromide
CID 173233352
(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
CID 54923443
4-hepta-1,3,5-trien-3-yloxypiperidine
CID 90980595
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589

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).