1-[(1E)-4-methylpenta-1,3-dienyl]piperidine

C11H19N — CID 91711582

IUPAC1-[(1E)-4-methylpenta-1,3-dienyl]piperidine
SMILESCC(C)=C/C=C/N1CCCCC1
InChIInChI=1S/C11H19N/c1-11(2)7-6-10-12-8-4-3-5-9-12/h6-7,10H,3-5,8-9H2,1-2H3/b10-6+
InChIKeyMEKRXSSUVKSKIA-UXBLZVDNSA-N
MW165.28 g/mol
LogP2.95
Rot. Bonds2

About 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine

1-[(1E)-4-methylpenta-1,3-dienyl]piperidine (PubChem CID 91711582) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine.

Molecular Properties

Compound Name1-[(1E)-4-methylpenta-1,3-dienyl]piperidine
PubChem CID91711582
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-[(1E)-4-methylpenta-1,3-dienyl]piperidine
SMILESCC(C)=C/C=C/N1CCCCC1
InChIInChI=1S/C11H19N/c1-11(2)7-6-10-12-8-4-3-5-9-12/h6-7,10H,3-5,8-9H2,1-2H3/b10-6+
InChIKeyMEKRXSSUVKSKIA-UXBLZVDNSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.95
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-Piperidino-1-isobutene
CID 136477
Piperidine, 1-(1-propenyl)-
CID 5463479
1-[(1E)-buta-1,3-dienyl]piperidine
CID 12517246
1-[(1E,3E)-hexa-1,3-dienyl]piperidine
CID 15665730
N-(1-propenyl)piperidine
CID 138954
Piperidylbutadiene
CID 54348105
3-Methyl-1-butylpyridine
CID 66729190
1-Hexyl-3-methyl pyridine
CID 141117286
1-[(Z)-prop-1-enyl]piperidine
CID 21629336
1-Ethyl-1-penta-2,4-dienylpiperidin-1-ium
CID 4337893
1-[(2E,4E)-hexa-2,4-dienyl]piperidine
CID 12530645
1-(4-Methylpenta-1,3-dien-2-yl)piperidine
CID 12661921

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine?
The IUPAC name of 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine (CID 91711582) is 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine.
What is the SMILES notation for 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine?
The canonical SMILES for 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine is CC(C)=C/C=C/N1CCCCC1.
What is the InChIKey of 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine?
The InChIKey is MEKRXSSUVKSKIA-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H19N/c1-11(2)7-6-10-12-8-4-3-5-9-12/h6-7,10H,3-5,8-9H2,1-2H3/b10-6+.
What are the key properties of 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine?
1-[(1E)-4-methylpenta-1,3-dienyl]piperidine has a molecular weight of 165.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-4-methylpenta-1,3-dienyl]piperidine is sourced from PubChem (CID 91711582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).