3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine

C12H22FN — CID 135273853

IUPAC3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine
SMILESC=C(CC)CCN1CCC(C)C(F)C1
InChIInChI=1S/C12H22FN/c1-4-10(2)5-7-14-8-6-11(3)12(13)9-14/h11-12H,2,4-9H2,1,3H3
InChIKeyDWORNOMTKGMVMY-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.02
Rot. Bonds4

About 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine

3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine (PubChem CID 135273853) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine
PubChem CID135273853
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine
SMILESC=C(CC)CCN1CCC(C)C(F)C1
InChIInChI=1S/C12H22FN/c1-4-10(2)5-7-14-8-6-11(3)12(13)9-14/h11-12H,2,4-9H2,1,3H3
InChIKeyDWORNOMTKGMVMY-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.02
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-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine?
The IUPAC name of 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine (CID 135273853) is 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine.
What is the SMILES notation for 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine?
The canonical SMILES for 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine is C=C(CC)CCN1CCC(C)C(F)C1.
What is the InChIKey of 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine?
The InChIKey is DWORNOMTKGMVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-4-10(2)5-7-14-8-6-11(3)12(13)9-14/h11-12H,2,4-9H2,1,3H3.
What are the key properties of 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine?
3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine has a molecular weight of 199.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-(3-methylidenepentyl)piperidine is sourced from PubChem (CID 135273853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).