1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine

C13H22FN — CID 170099018

IUPAC1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine
SMILESC=CC1CCCC1N1CCC(C)(F)CC1
InChIInChI=1S/C13H22FN/c1-3-11-5-4-6-12(11)15-9-7-13(2,14)8-10-15/h3,11-12H,1,4-10H2,2H3
InChIKeyHJXSNWJVQLMWAG-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.17
Rot. Bonds2

About 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine

1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine (PubChem CID 170099018) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine
PubChem CID170099018
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine
SMILESC=CC1CCCC1N1CCC(C)(F)CC1
InChIInChI=1S/C13H22FN/c1-3-11-5-4-6-12(11)15-9-7-13(2,14)8-10-15/h3,11-12H,1,4-10H2,2H3
InChIKeyHJXSNWJVQLMWAG-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.17
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 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine (CID 170099018) is 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine is C=CC1CCCC1N1CCC(C)(F)CC1.
What is the InChIKey of 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine?
The InChIKey is HJXSNWJVQLMWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c1-3-11-5-4-6-12(11)15-9-7-13(2,14)8-10-15/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine?
1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine has a molecular weight of 211.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylcyclopentyl)-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 170099018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).