4-(cyclohepten-1-yl)-4-fluoropiperidine

C12H20FN — CID 106655017

IUPAC4-(cyclohepten-1-yl)-4-fluoropiperidine
SMILESFC1(C2=CCCCCC2)CCNCC1
InChIInChI=1S/C12H20FN/c13-12(7-9-14-10-8-12)11-5-3-1-2-4-6-11/h5,14H,1-4,6-10H2
InChIKeyZKVKKZNECSAPJO-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.97
Rot. Bonds1

About 4-(cyclohepten-1-yl)-4-fluoropiperidine

4-(cyclohepten-1-yl)-4-fluoropiperidine (PubChem CID 106655017) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-(cyclohepten-1-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(cyclohepten-1-yl)-4-fluoropiperidine
PubChem CID106655017
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name4-(cyclohepten-1-yl)-4-fluoropiperidine
SMILESFC1(C2=CCCCCC2)CCNCC1
InChIInChI=1S/C12H20FN/c13-12(7-9-14-10-8-12)11-5-3-1-2-4-6-11/h5,14H,1-4,6-10H2
InChIKeyZKVKKZNECSAPJO-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.97
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)-4-fluoropiperidine?
The IUPAC name of 4-(cyclohepten-1-yl)-4-fluoropiperidine (CID 106655017) is 4-(cyclohepten-1-yl)-4-fluoropiperidine.
What is the SMILES notation for 4-(cyclohepten-1-yl)-4-fluoropiperidine?
The canonical SMILES for 4-(cyclohepten-1-yl)-4-fluoropiperidine is FC1(C2=CCCCCC2)CCNCC1.
What is the InChIKey of 4-(cyclohepten-1-yl)-4-fluoropiperidine?
The InChIKey is ZKVKKZNECSAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c13-12(7-9-14-10-8-12)11-5-3-1-2-4-6-11/h5,14H,1-4,6-10H2.
What are the key properties of 4-(cyclohepten-1-yl)-4-fluoropiperidine?
4-(cyclohepten-1-yl)-4-fluoropiperidine has a molecular weight of 197.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohepten-1-yl)-4-fluoropiperidine is sourced from PubChem (CID 106655017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).