4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine

C13H16F3N — CID 112563707

IUPAC4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
SMILESFc1ccc(F)c(CC(F)C2CCNCC2)c1
InChIInChI=1S/C13H16F3N/c14-11-1-2-12(15)10(7-11)8-13(16)9-3-5-17-6-4-9/h1-2,7,9,13,17H,3-6,8H2
InChIKeyCPBKYUXHUWTUIY-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.85
Rot. Bonds3

About 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine

4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine (PubChem CID 112563707) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
PubChem CID112563707
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
SMILESFc1ccc(F)c(CC(F)C2CCNCC2)c1
InChIInChI=1S/C13H16F3N/c14-11-1-2-12(15)10(7-11)8-13(16)9-3-5-17-6-4-9/h1-2,7,9,13,17H,3-6,8H2
InChIKeyCPBKYUXHUWTUIY-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563630
4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
CID 112563662
4-[2-(2,6-difluorophenyl)-1-fluoroethyl]piperidine
CID 114935288
3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine
CID 105464966
4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
CID 90039406
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine
CID 90039118
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
CID 112563625
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine (CID 112563707) is 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine is Fc1ccc(F)c(CC(F)C2CCNCC2)c1.
What is the InChIKey of 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine?
The InChIKey is CPBKYUXHUWTUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-11-1-2-12(15)10(7-11)8-13(16)9-3-5-17-6-4-9/h1-2,7,9,13,17H,3-6,8H2.
What are the key properties of 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine?
4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112563707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).