4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium

C20H25FNO+ — CID 7375813

IUPAC4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium
SMILESFc1ccccc1OCC[NH+]1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H24FNO/c21-19-8-4-5-9-20(19)23-15-14-22-12-10-18(11-13-22)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2/p+1
InChIKeyIJGDEFBSWFWQJY-UHFFFAOYSA-O
MW314.42 g/mol
LogP2.74
Rot. Bonds6

About 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium

4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium (PubChem CID 7375813) has the molecular formula C20H25FNO+ and a molecular weight of 314.42 g/mol. Its IUPAC name is 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium.

Molecular Properties

Compound Name4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium
PubChem CID7375813
Molecular FormulaC20H25FNO+
Molecular Weight314.42 g/mol
Exact Mass314.19
IUPAC Name4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium
SMILESFc1ccccc1OCC[NH+]1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H24FNO/c21-19-8-4-5-9-20(19)23-15-14-22-12-10-18(11-13-22)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2/p+1
InChIKeyIJGDEFBSWFWQJY-UHFFFAOYSA-O
XLogP2.74
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-fluorophenoxy)butyl]piperazine-1,4-diium
CID 2194718
2-[(4-benzylpiperidin-1-ium-1-yl)methoxy]benzoate
CID 42301740
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium
CID 2182374
1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
CID 7375832
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
1-(6-cyclopropylhexoxy)-2-fluorobenzene
CID 91224434
N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine
CID 58923743
1-(4-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
CID 8744066
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 40636152
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium?
The IUPAC name of 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium (CID 7375813) is 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium.
What is the SMILES notation for 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium?
The canonical SMILES for 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium is Fc1ccccc1OCC[NH+]1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium?
The InChIKey is IJGDEFBSWFWQJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24FNO/c21-19-8-4-5-9-20(19)23-15-14-22-12-10-18(11-13-22)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2/p+1.
What are the key properties of 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium?
4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium has a molecular weight of 314.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium is sourced from PubChem (CID 7375813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).