2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine

C15H21F2N — CID 174404791

IUPAC2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
SMILESCC(F)C1CCCCN1CCc1ccc(F)cc1
InChIInChI=1S/C15H21F2N/c1-12(16)15-4-2-3-10-18(15)11-9-13-5-7-14(17)8-6-13/h5-8,12,15H,2-4,9-11H2,1H3
InChIKeyYMPRGRIDJKFTSX-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.58
Rot. Bonds4

About 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine

2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine (PubChem CID 174404791) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
PubChem CID174404791
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
SMILESCC(F)C1CCCCN1CCc1ccc(F)cc1
InChIInChI=1S/C15H21F2N/c1-12(16)15-4-2-3-10-18(15)11-9-13-5-7-14(17)8-6-13/h5-8,12,15H,2-4,9-11H2,1H3
InChIKeyYMPRGRIDJKFTSX-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The IUPAC name of 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine (CID 174404791) is 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The canonical SMILES for 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine is CC(F)C1CCCCN1CCc1ccc(F)cc1.
What is the InChIKey of 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
The InChIKey is YMPRGRIDJKFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-12(16)15-4-2-3-10-18(15)11-9-13-5-7-14(17)8-6-13/h5-8,12,15H,2-4,9-11H2,1H3.
What are the key properties of 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine?
2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine has a molecular weight of 253.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 174404791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).