4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium

C13H19FN+ — CID 7183060

IUPAC4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium
SMILESFc1ccccc1CCC1CC[NH2+]CC1
InChIInChI=1S/C13H18FN/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,11,15H,5-10H2/p+1
InChIKeyJIRKOHSBZDIZRK-UHFFFAOYSA-O
MW208.30 g/mol
LogP1.73
Rot. Bonds3

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

4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium (PubChem CID 7183060) has the molecular formula C13H19FN+ and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium
PubChem CID7183060
Molecular FormulaC13H19FN+
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium
SMILESFc1ccccc1CCC1CC[NH2+]CC1
InChIInChI=1S/C13H18FN/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,11,15H,5-10H2/p+1
InChIKeyJIRKOHSBZDIZRK-UHFFFAOYSA-O
XLogP1.73
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium?
The IUPAC name of 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium (CID 7183060) is 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium is Fc1ccccc1CCC1CC[NH2+]CC1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium?
The InChIKey is JIRKOHSBZDIZRK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18FN/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,11,15H,5-10H2/p+1.
What are the key properties of 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium?
4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium has a molecular weight of 208.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethyl]piperidin-1-ium is sourced from PubChem (CID 7183060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).