1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde

C13H19NO — CID 142850909

IUPAC1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde
SMILESC=C/C=C(\C=C)CN1CCCC(C=O)C1
InChIInChI=1S/C13H19NO/c1-3-6-12(4-2)9-14-8-5-7-13(10-14)11-15/h3-4,6,11,13H,1-2,5,7-10H2/b12-6+
InChIKeyRPVULXFSLKQUCM-WUXMJOGZSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds5

About 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde

1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde (PubChem CID 142850909) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde
PubChem CID142850909
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde
SMILESC=C/C=C(\C=C)CN1CCCC(C=O)C1
InChIInChI=1S/C13H19NO/c1-3-6-12(4-2)9-14-8-5-7-13(10-14)11-15/h3-4,6,11,13H,1-2,5,7-10H2/b12-6+
InChIKeyRPVULXFSLKQUCM-WUXMJOGZSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Prop-2-enylpiperidine-3-carbaldehyde
CID 62654023
1-(2-Methylprop-2-enyl)piperidine-3-carbaldehyde
CID 62654205
1-But-3-en-2-ylpiperidine-3-carbaldehyde
CID 62654924
2-[[Cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]methyl]butanal
CID 142850897
1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidine-3-carbaldehyde
CID 143016459
1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidine-4-carbaldehyde
CID 143526017
1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde
CID 143868126
1-(Cyclohepta-1,3,6-trien-1-ylmethyl)piperidine-4-carbaldehyde
CID 144350466
1-[4-(Aminomethyl)cyclohexa-2,4-dien-1-yl]piperidine-3-carbaldehyde
CID 145012005
1-[(3S)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-3-yl]ethanone
CID 156715119
1-(3-Methylbut-2-enyl)piperidine-3-carbaldehyde
CID 62654206
1-But-3-enylpiperidine-3-carbaldehyde
CID 64297485

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde (CID 142850909) is 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde is C=C/C=C(\C=C)CN1CCCC(C=O)C1.
What is the InChIKey of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde?
The InChIKey is RPVULXFSLKQUCM-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-6-12(4-2)9-14-8-5-7-13(10-14)11-15/h3-4,6,11,13H,1-2,5,7-10H2/b12-6+.
What are the key properties of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde?
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde has a molecular weight of 205.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 142850909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).