1-(4-methylpenta-1,3-dien-2-yl)piperidine

C11H19N — CID 12661921

IUPAC1-(4-methylpenta-1,3-dien-2-yl)piperidine
SMILESC=C(C=C(C)C)N1CCCCC1
InChIInChI=1S/C11H19N/c1-10(2)9-11(3)12-7-5-4-6-8-12/h9H,3-8H2,1-2H3
InChIKeyXFUNWAQJJCBPQU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.95
Rot. Bonds2

About 1-(4-methylpenta-1,3-dien-2-yl)piperidine

1-(4-methylpenta-1,3-dien-2-yl)piperidine (PubChem CID 12661921) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(4-methylpenta-1,3-dien-2-yl)piperidine.

Molecular Properties

Compound Name1-(4-methylpenta-1,3-dien-2-yl)piperidine
PubChem CID12661921
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(4-methylpenta-1,3-dien-2-yl)piperidine
SMILESC=C(C=C(C)C)N1CCCCC1
InChIInChI=1S/C11H19N/c1-10(2)9-11(3)12-7-5-4-6-8-12/h9H,3-8H2,1-2H3
InChIKeyXFUNWAQJJCBPQU-UHFFFAOYSA-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

N-(3-methyl-2-butenyl)piperidine
CID 12231582
1-Methyl-1-(3-methylbut-2-en-1-yl)piperidinium
CID 1414349
4-fluoro-1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidine
CID 135265902
1-[(3E,5Z)-7-fluoro-5,6-dimethylocta-3,5,7-trien-3-yl]piperidine
CID 144983831
1-Ethyl-1-(3-methylbut-2-en-1-yl)piperidinium
CID 1387038
1-[(3E)-5-methylhexa-1,3-dien-2-yl]piperidine
CID 11805332
Piperidine, 1-[4-methyl-1,3-pentadien-1-yl]-
CID 91711582
1-[(E)-but-2-en-2-yl]piperidine
CID 20221266
1-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 22149549
1-But-2-en-2-ylpiperidine
CID 54314461
6-methyl-1-pentyl-2H-pyridine
CID 54491275
1-Penta-2,4-dien-2-ylpiperidine
CID 57091192

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpenta-1,3-dien-2-yl)piperidine?
The IUPAC name of 1-(4-methylpenta-1,3-dien-2-yl)piperidine (CID 12661921) is 1-(4-methylpenta-1,3-dien-2-yl)piperidine.
What is the SMILES notation for 1-(4-methylpenta-1,3-dien-2-yl)piperidine?
The canonical SMILES for 1-(4-methylpenta-1,3-dien-2-yl)piperidine is C=C(C=C(C)C)N1CCCCC1.
What is the InChIKey of 1-(4-methylpenta-1,3-dien-2-yl)piperidine?
The InChIKey is XFUNWAQJJCBPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)9-11(3)12-7-5-4-6-8-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylpenta-1,3-dien-2-yl)piperidine?
1-(4-methylpenta-1,3-dien-2-yl)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-(4-methylpenta-1,3-dien-2-yl)piperidine is sourced from PubChem (CID 12661921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).