4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid

C15H19F4NO2 — CID 134366951

IUPAC4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
SMILESFc1ccc(CCC2CCNCC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18FN.C2HF3O2/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12;3-2(4,5)1(6)7/h3-6,12,15H,1-2,7-10H2;(H,6,7)
InChIKeyLFGLKXDNGGXFOH-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.39
Rot. Bonds3

About 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid

4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid (PubChem CID 134366951) has the molecular formula C15H19F4NO2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
PubChem CID134366951
Molecular FormulaC15H19F4NO2
Molecular Weight321.31 g/mol
Exact Mass321.14
IUPAC Name4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
SMILESFc1ccc(CCC2CCNCC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18FN.C2HF3O2/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12;3-2(4,5)1(6)7/h3-6,12,15H,1-2,7-10H2;(H,6,7)
InChIKeyLFGLKXDNGGXFOH-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-methylsulfonylphenyl)butyl]piperidine;2,2,2-trifluoroacetic acid
CID 158150885
4-(2-pyrrolidin-3-ylethyl)benzoic acid;hydrochloride
CID 126844922
4-[2-(azepan-4-yl)ethyl]phenol
CID 84685003
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687
4-fluoro-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 54945330
2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetic acid;hydrochloride
CID 22362370
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid
CID 67651623
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
(4-fluorophenyl) 3-piperidin-4-ylpropanoate
CID 117125845
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777
4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 162320041

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid (CID 134366951) is 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid is Fc1ccc(CCC2CCNCC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is LFGLKXDNGGXFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN.C2HF3O2/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12;3-2(4,5)1(6)7/h3-6,12,15H,1-2,7-10H2;(H,6,7).
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid?
4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 321.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134366951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).