3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine

C14H24FN — CID 106655034

IUPAC3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(C1=CCCCCC1)C1CCCNC1
InChIInChI=1S/C14H24FN/c1-14(15,13-9-6-10-16-11-13)12-7-4-2-3-5-8-12/h7,13,16H,2-6,8-11H2,1H3
InChIKeyKXJIVLMNDNFUEB-UHFFFAOYSA-N
MW225.35 g/mol
LogP3.60
Rot. Bonds2

About 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine

3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine (PubChem CID 106655034) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine
PubChem CID106655034
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(C1=CCCCCC1)C1CCCNC1
InChIInChI=1S/C14H24FN/c1-14(15,13-9-6-10-16-11-13)12-7-4-2-3-5-8-12/h7,13,16H,2-6,8-11H2,1H3
InChIKeyKXJIVLMNDNFUEB-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.60
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 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine (CID 106655034) is 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine is CC(F)(C1=CCCCCC1)C1CCCNC1.
What is the InChIKey of 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine?
The InChIKey is KXJIVLMNDNFUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c1-14(15,13-9-6-10-16-11-13)12-7-4-2-3-5-8-12/h7,13,16H,2-6,8-11H2,1H3.
What are the key properties of 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine?
3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine has a molecular weight of 225.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 106655034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).