1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine

C12H21F2N — CID 134531061

IUPAC1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine
SMILESC=CC(C)(F)C(F)N1CC(C)CC(C)C1
InChIInChI=1S/C12H21F2N/c1-5-12(4,14)11(13)15-7-9(2)6-10(3)8-15/h5,9-11H,1,6-8H2,2-4H3
InChIKeyVZHSBTIBSGPJHB-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.17
Rot. Bonds3

About 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine

1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine (PubChem CID 134531061) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine
PubChem CID134531061
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine
SMILESC=CC(C)(F)C(F)N1CC(C)CC(C)C1
InChIInChI=1S/C12H21F2N/c1-5-12(4,14)11(13)15-7-9(2)6-10(3)8-15/h5,9-11H,1,6-8H2,2-4H3
InChIKeyVZHSBTIBSGPJHB-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine (CID 134531061) is 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine is C=CC(C)(F)C(F)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine?
The InChIKey is VZHSBTIBSGPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-5-12(4,14)11(13)15-7-9(2)6-10(3)8-15/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine?
1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine has a molecular weight of 217.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 134531061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).