2-(3-methylbut-3-en-2-yl)piperidine

C10H19N — CID 123506035

IUPAC2-(3-methylbut-3-en-2-yl)piperidine
SMILESC=C(C)C(C)C1CCCCN1
InChIInChI=1S/C10H19N/c1-8(2)9(3)10-6-4-5-7-11-10/h9-11H,1,4-7H2,2-3H3
InChIKeyRKGGTWGDCCJAJH-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds2

About 2-(3-methylbut-3-en-2-yl)piperidine

2-(3-methylbut-3-en-2-yl)piperidine (PubChem CID 123506035) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-(3-methylbut-3-en-2-yl)piperidine.

Molecular Properties

Compound Name2-(3-methylbut-3-en-2-yl)piperidine
PubChem CID123506035
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-(3-methylbut-3-en-2-yl)piperidine
SMILESC=C(C)C(C)C1CCCCN1
InChIInChI=1S/C10H19N/c1-8(2)9(3)10-6-4-5-7-11-10/h9-11H,1,4-7H2,2-3H3
InChIKeyRKGGTWGDCCJAJH-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-en-2-yl)piperidine?
The IUPAC name of 2-(3-methylbut-3-en-2-yl)piperidine (CID 123506035) is 2-(3-methylbut-3-en-2-yl)piperidine.
What is the SMILES notation for 2-(3-methylbut-3-en-2-yl)piperidine?
The canonical SMILES for 2-(3-methylbut-3-en-2-yl)piperidine is C=C(C)C(C)C1CCCCN1.
What is the InChIKey of 2-(3-methylbut-3-en-2-yl)piperidine?
The InChIKey is RKGGTWGDCCJAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)9(3)10-6-4-5-7-11-10/h9-11H,1,4-7H2,2-3H3.
What are the key properties of 2-(3-methylbut-3-en-2-yl)piperidine?
2-(3-methylbut-3-en-2-yl)piperidine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-en-2-yl)piperidine is sourced from PubChem (CID 123506035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).