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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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).