1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine

C11H20FN2+ — CID 11121470

IUPAC1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine
SMILESFC(N1CCCCC1)=[N+]1CCCCC1
InChIInChI=1S/C11H20FN2/c12-11(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H2/q+1
InChIKeyUHRNFXVOVVXNFB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.99
Rot. Bonds

About 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine

1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine (PubChem CID 11121470) has the molecular formula C11H20FN2+ and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine.

Molecular Properties

Compound Name1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine
PubChem CID11121470
Molecular FormulaC11H20FN2+
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine
SMILESFC(N1CCCCC1)=[N+]1CCCCC1
InChIInChI=1S/C11H20FN2/c12-11(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H2/q+1
InChIKeyUHRNFXVOVVXNFB-UHFFFAOYSA-N
XLogP1.99
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine?
The IUPAC name of 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine (CID 11121470) is 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine.
What is the SMILES notation for 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine?
The canonical SMILES for 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine is FC(N1CCCCC1)=[N+]1CCCCC1.
What is the InChIKey of 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine?
The InChIKey is UHRNFXVOVVXNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN2/c12-11(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H2/q+1.
What are the key properties of 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine?
1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine has a molecular weight of 199.29 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine is sourced from PubChem (CID 11121470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).