2-(2,3-dimethylpent-2-enyl)piperidine

C12H23N — CID 104855389

IUPAC2-(2,3-dimethylpent-2-enyl)piperidine
SMILESCCC(C)=C(C)CC1CCCCN1
InChIInChI=1S/C12H23N/c1-4-10(2)11(3)9-12-7-5-6-8-13-12/h12-13H,4-9H2,1-3H3
InChIKeyWESBOSXMRCFTLN-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds3

About 2-(2,3-dimethylpent-2-enyl)piperidine

2-(2,3-dimethylpent-2-enyl)piperidine (PubChem CID 104855389) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(2,3-dimethylpent-2-enyl)piperidine.

Molecular Properties

Compound Name2-(2,3-dimethylpent-2-enyl)piperidine
PubChem CID104855389
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(2,3-dimethylpent-2-enyl)piperidine
SMILESCCC(C)=C(C)CC1CCCCN1
InChIInChI=1S/C12H23N/c1-4-10(2)11(3)9-12-7-5-6-8-13-12/h12-13H,4-9H2,1-3H3
InChIKeyWESBOSXMRCFTLN-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
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-(2,3-dimethylpent-2-enyl)piperidine?
The IUPAC name of 2-(2,3-dimethylpent-2-enyl)piperidine (CID 104855389) is 2-(2,3-dimethylpent-2-enyl)piperidine.
What is the SMILES notation for 2-(2,3-dimethylpent-2-enyl)piperidine?
The canonical SMILES for 2-(2,3-dimethylpent-2-enyl)piperidine is CCC(C)=C(C)CC1CCCCN1.
What is the InChIKey of 2-(2,3-dimethylpent-2-enyl)piperidine?
The InChIKey is WESBOSXMRCFTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10(2)11(3)9-12-7-5-6-8-13-12/h12-13H,4-9H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpent-2-enyl)piperidine?
2-(2,3-dimethylpent-2-enyl)piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpent-2-enyl)piperidine is sourced from PubChem (CID 104855389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).