3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine

C13H16Cl2FN — CID 112564829

IUPAC3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cccc(Cl)c1Cl)C1CCCNC1
InChIInChI=1S/C13H16Cl2FN/c1-13(16,9-4-3-7-17-8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9,17H,3-4,7-8H2,1H3
InChIKeyHOKRMTNDCPDCCX-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.18
Rot. Bonds2

About 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine

3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine (PubChem CID 112564829) has the molecular formula C13H16Cl2FN and a molecular weight of 276.18 g/mol. Its IUPAC name is 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
PubChem CID112564829
Molecular FormulaC13H16Cl2FN
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cccc(Cl)c1Cl)C1CCCNC1
InChIInChI=1S/C13H16Cl2FN/c1-13(16,9-4-3-7-17-8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9,17H,3-4,7-8H2,1H3
InChIKeyHOKRMTNDCPDCCX-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
CID 114747708
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
CID 104663559
(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
CID 67190042
3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
3-[1-fluoro-1-(4-propan-2-ylphenyl)ethyl]piperidine
CID 112564886
3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
CID 112564899
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
2-[1-(azepan-4-yl)-1-fluoroethyl]phenol
CID 84727540
1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
CID 112652978
3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
CID 114523641
3-(2,3-dichlorophenyl)piperidine
CID 24904244

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine (CID 112564829) is 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine is CC(F)(c1cccc(Cl)c1Cl)C1CCCNC1.
What is the InChIKey of 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine?
The InChIKey is HOKRMTNDCPDCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FN/c1-13(16,9-4-3-7-17-8-9)10-5-2-6-11(14)12(10)15/h2,5-6,9,17H,3-4,7-8H2,1H3.
What are the key properties of 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine?
3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine has a molecular weight of 276.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112564829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).