1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine

C11H19N — CID 142926355

IUPAC1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
SMILESC=C/C(=C\C)C1CCN(C)CC1
InChIInChI=1S/C11H19N/c1-4-10(5-2)11-6-8-12(3)9-7-11/h4-5,11H,1,6-9H2,2-3H3/b10-5+
InChIKeyPRCCNPUMJANYOJ-BJMVGYQFSA-N
MW165.28 g/mol
LogP2.46
Rot. Bonds2

About 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine

1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine (PubChem CID 142926355) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
PubChem CID142926355
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
SMILESC=C/C(=C\C)C1CCN(C)CC1
InChIInChI=1S/C11H19N/c1-4-10(5-2)11-6-8-12(3)9-7-11/h4-5,11H,1,6-9H2,2-3H3/b10-5+
InChIKeyPRCCNPUMJANYOJ-BJMVGYQFSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
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 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine?
The IUPAC name of 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine (CID 142926355) is 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine?
The canonical SMILES for 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine is C=C/C(=C\C)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine?
The InChIKey is PRCCNPUMJANYOJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10(5-2)11-6-8-12(3)9-7-11/h4-5,11H,1,6-9H2,2-3H3/b10-5+.
What are the key properties of 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine?
1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine has a molecular weight of 165.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine is sourced from PubChem (CID 142926355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).