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

C11H19N — CID 123361971

IUPAC3-(4-methylpenta-2,4-dien-2-yl)piperidine
SMILESC=C(C)C=C(C)C1CCCNC1
InChIInChI=1S/C11H19N/c1-9(2)7-10(3)11-5-4-6-12-8-11/h7,11-12H,1,4-6,8H2,2-3H3
InChIKeyLVUNWZNDZWOMBU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.51
Rot. Bonds2

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

3-(4-methylpenta-2,4-dien-2-yl)piperidine (PubChem CID 123361971) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-(4-methylpenta-2,4-dien-2-yl)piperidine.

Molecular Properties

Compound Name3-(4-methylpenta-2,4-dien-2-yl)piperidine
PubChem CID123361971
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-(4-methylpenta-2,4-dien-2-yl)piperidine
SMILESC=C(C)C=C(C)C1CCCNC1
InChIInChI=1S/C11H19N/c1-9(2)7-10(3)11-5-4-6-12-8-11/h7,11-12H,1,4-6,8H2,2-3H3
InChIKeyLVUNWZNDZWOMBU-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 3-(4-methylpenta-2,4-dien-2-yl)piperidine?
The IUPAC name of 3-(4-methylpenta-2,4-dien-2-yl)piperidine (CID 123361971) is 3-(4-methylpenta-2,4-dien-2-yl)piperidine.
What is the SMILES notation for 3-(4-methylpenta-2,4-dien-2-yl)piperidine?
The canonical SMILES for 3-(4-methylpenta-2,4-dien-2-yl)piperidine is C=C(C)C=C(C)C1CCCNC1.
What is the InChIKey of 3-(4-methylpenta-2,4-dien-2-yl)piperidine?
The InChIKey is LVUNWZNDZWOMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)7-10(3)11-5-4-6-12-8-11/h7,11-12H,1,4-6,8H2,2-3H3.
What are the key properties of 3-(4-methylpenta-2,4-dien-2-yl)piperidine?
3-(4-methylpenta-2,4-dien-2-yl)piperidine has a molecular weight of 165.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpenta-2,4-dien-2-yl)piperidine is sourced from PubChem (CID 123361971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).