1-[(3E)-penta-1,3-dien-3-yl]piperidine

C10H17N — CID 22149549

IUPAC1-[(3E)-penta-1,3-dien-3-yl]piperidine
SMILESC=C/C(=C\C)N1CCCCC1
InChIInChI=1S/C10H17N/c1-3-10(4-2)11-8-6-5-7-9-11/h3-4H,1,5-9H2,2H3/b10-4+
InChIKeyDGYJVCIISMLIGN-ONNFQVAWSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds2

About 1-[(3E)-penta-1,3-dien-3-yl]piperidine

1-[(3E)-penta-1,3-dien-3-yl]piperidine (PubChem CID 22149549) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-[(3E)-penta-1,3-dien-3-yl]piperidine.

Molecular Properties

Compound Name1-[(3E)-penta-1,3-dien-3-yl]piperidine
PubChem CID22149549
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-[(3E)-penta-1,3-dien-3-yl]piperidine
SMILESC=C/C(=C\C)N1CCCCC1
InChIInChI=1S/C10H17N/c1-3-10(4-2)11-8-6-5-7-9-11/h3-4H,1,5-9H2,2H3/b10-4+
InChIKeyDGYJVCIISMLIGN-ONNFQVAWSA-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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Related Compounds

1-Piperidyl-2-butene
CID 79100
1-Butyl-4-(dimethylamino)pyridine
CID 23048244
1-(But-2-enyl)piperidine
CID 5463466
1-But-2-en-2-yl-4-fluoropiperidine
CID 91114057
4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
CID 135265902
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
1-Ethyl-1-penta-2,4-dienylpiperidin-1-ium
CID 4337893
1-Ethyl-1-(penta-2,4-dien-1-yl)piperidin-1-ium bromide
CID 53428117
1-[(3E)-5-methylhexa-1,3-dien-2-yl]piperidine
CID 11805332
Piperidine, 1-[4-methyl-1,3-pentadien-1-yl]-
CID 91711582
1-[(Z)-but-2-enyl]piperidine
CID 11147762
Magnesium;1-phenylpiperidine;bromide
CID 12136717

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-penta-1,3-dien-3-yl]piperidine?
The IUPAC name of 1-[(3E)-penta-1,3-dien-3-yl]piperidine (CID 22149549) is 1-[(3E)-penta-1,3-dien-3-yl]piperidine.
What is the SMILES notation for 1-[(3E)-penta-1,3-dien-3-yl]piperidine?
The canonical SMILES for 1-[(3E)-penta-1,3-dien-3-yl]piperidine is C=C/C(=C\C)N1CCCCC1.
What is the InChIKey of 1-[(3E)-penta-1,3-dien-3-yl]piperidine?
The InChIKey is DGYJVCIISMLIGN-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H17N/c1-3-10(4-2)11-8-6-5-7-9-11/h3-4H,1,5-9H2,2H3/b10-4+.
What are the key properties of 1-[(3E)-penta-1,3-dien-3-yl]piperidine?
1-[(3E)-penta-1,3-dien-3-yl]piperidine 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-[(3E)-penta-1,3-dien-3-yl]piperidine is sourced from PubChem (CID 22149549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).