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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3E)-penta-1,3-dien-3-yl]cyclopentane;prop-1-ene
CID 144579674
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659
(2Z,4Z)-5-(methylideneamino)-4-(1-methylpiperidin-4-yl)penta-2,4-dien-1-amine
CID 167039292
4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine
CID 142209262
4-methyl-2-[(3E)-penta-1,3-dien-3-yl]-1-propan-2-ylpiperazine
CID 145309756
2-(1-methylpiperidin-4-yl)prop-2-enenitrile
CID 89188515
4-ethenyl-1-methylpiperidine;molecular hydrogen
CID 143787743
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
CID 142009560
1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene
CID 143658609

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).