3-but-3-enyl-1,3-dimethylpiperidine

C11H21N — CID 14225211

IUPAC3-but-3-enyl-1,3-dimethylpiperidine
SMILESC=CCCC1(C)CCCN(C)C1
InChIInChI=1S/C11H21N/c1-4-5-7-11(2)8-6-9-12(3)10-11/h4H,1,5-10H2,2-3H3
InChIKeyMYORBJCBJRKDMR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About 3-but-3-enyl-1,3-dimethylpiperidine

3-but-3-enyl-1,3-dimethylpiperidine (PubChem CID 14225211) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-but-3-enyl-1,3-dimethylpiperidine.

Molecular Properties

Compound Name3-but-3-enyl-1,3-dimethylpiperidine
PubChem CID14225211
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-but-3-enyl-1,3-dimethylpiperidine
SMILESC=CCCC1(C)CCCN(C)C1
InChIInChI=1S/C11H21N/c1-4-5-7-11(2)8-6-9-12(3)10-11/h4H,1,5-10H2,2-3H3
InChIKeyMYORBJCBJRKDMR-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 3-but-3-enyl-1,3-dimethylpiperidine?
The IUPAC name of 3-but-3-enyl-1,3-dimethylpiperidine (CID 14225211) is 3-but-3-enyl-1,3-dimethylpiperidine.
What is the SMILES notation for 3-but-3-enyl-1,3-dimethylpiperidine?
The canonical SMILES for 3-but-3-enyl-1,3-dimethylpiperidine is C=CCCC1(C)CCCN(C)C1.
What is the InChIKey of 3-but-3-enyl-1,3-dimethylpiperidine?
The InChIKey is MYORBJCBJRKDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-5-7-11(2)8-6-9-12(3)10-11/h4H,1,5-10H2,2-3H3.
What are the key properties of 3-but-3-enyl-1,3-dimethylpiperidine?
3-but-3-enyl-1,3-dimethylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-1,3-dimethylpiperidine is sourced from PubChem (CID 14225211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).