4-[cyclohepten-1-yl(fluoro)methyl]piperidine

C13H22FN — CID 106655023

IUPAC4-[cyclohepten-1-yl(fluoro)methyl]piperidine
SMILESFC(C1=CCCCCC1)C1CCNCC1
InChIInChI=1S/C13H22FN/c14-13(12-7-9-15-10-8-12)11-5-3-1-2-4-6-11/h5,12-13,15H,1-4,6-10H2
InChIKeyGUNDMCLQSNOKOC-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.21
Rot. Bonds2

About 4-[cyclohepten-1-yl(fluoro)methyl]piperidine

4-[cyclohepten-1-yl(fluoro)methyl]piperidine (PubChem CID 106655023) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 4-[cyclohepten-1-yl(fluoro)methyl]piperidine.

Molecular Properties

Compound Name4-[cyclohepten-1-yl(fluoro)methyl]piperidine
PubChem CID106655023
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name4-[cyclohepten-1-yl(fluoro)methyl]piperidine
SMILESFC(C1=CCCCCC1)C1CCNCC1
InChIInChI=1S/C13H22FN/c14-13(12-7-9-15-10-8-12)11-5-3-1-2-4-6-11/h5,12-13,15H,1-4,6-10H2
InChIKeyGUNDMCLQSNOKOC-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
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 4-[cyclohepten-1-yl(fluoro)methyl]piperidine?
The IUPAC name of 4-[cyclohepten-1-yl(fluoro)methyl]piperidine (CID 106655023) is 4-[cyclohepten-1-yl(fluoro)methyl]piperidine.
What is the SMILES notation for 4-[cyclohepten-1-yl(fluoro)methyl]piperidine?
The canonical SMILES for 4-[cyclohepten-1-yl(fluoro)methyl]piperidine is FC(C1=CCCCCC1)C1CCNCC1.
What is the InChIKey of 4-[cyclohepten-1-yl(fluoro)methyl]piperidine?
The InChIKey is GUNDMCLQSNOKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c14-13(12-7-9-15-10-8-12)11-5-3-1-2-4-6-11/h5,12-13,15H,1-4,6-10H2.
What are the key properties of 4-[cyclohepten-1-yl(fluoro)methyl]piperidine?
4-[cyclohepten-1-yl(fluoro)methyl]piperidine has a molecular weight of 211.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohepten-1-yl(fluoro)methyl]piperidine is sourced from PubChem (CID 106655023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).