2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine

C15H26FN — CID 106655072

IUPAC2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine
SMILESCC(F)(CC1CCCCN1)C1=CCCCCC1
InChIInChI=1S/C15H26FN/c1-15(16,12-14-10-6-7-11-17-14)13-8-4-2-3-5-9-13/h8,14,17H,2-7,9-12H2,1H3
InChIKeyBGVJBPDZFIRPMJ-UHFFFAOYSA-N
MW239.38 g/mol
LogP4.14
Rot. Bonds3

About 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine

2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine (PubChem CID 106655072) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine.

Molecular Properties

Compound Name2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine
PubChem CID106655072
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine
SMILESCC(F)(CC1CCCCN1)C1=CCCCCC1
InChIInChI=1S/C15H26FN/c1-15(16,12-14-10-6-7-11-17-14)13-8-4-2-3-5-9-13/h8,14,17H,2-7,9-12H2,1H3
InChIKeyBGVJBPDZFIRPMJ-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.14
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 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine?
The IUPAC name of 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine (CID 106655072) is 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine.
What is the SMILES notation for 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine?
The canonical SMILES for 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine is CC(F)(CC1CCCCN1)C1=CCCCCC1.
What is the InChIKey of 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine?
The InChIKey is BGVJBPDZFIRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN/c1-15(16,12-14-10-6-7-11-17-14)13-8-4-2-3-5-9-13/h8,14,17H,2-7,9-12H2,1H3.
What are the key properties of 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine?
2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine has a molecular weight of 239.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohepten-1-yl)-2-fluoropropyl]piperidine is sourced from PubChem (CID 106655072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).