2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid

C11H21FN2O2 — CID 166828238

IUPAC2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
SMILESCCN1CC(F)CCC1CN(C)CC(=O)O
InChIInChI=1S/C11H21FN2O2/c1-3-14-6-9(12)4-5-10(14)7-13(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyJKEFKUZQFIJDPS-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.83
Rot. Bonds5

About 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid

2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid (PubChem CID 166828238) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
PubChem CID166828238
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
SMILESCCN1CC(F)CCC1CN(C)CC(=O)O
InChIInChI=1S/C11H21FN2O2/c1-3-14-6-9(12)4-5-10(14)7-13(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyJKEFKUZQFIJDPS-UHFFFAOYSA-N
XLogP0.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid (CID 166828238) is 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid is CCN1CC(F)CCC1CN(C)CC(=O)O.
What is the InChIKey of 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid?
The InChIKey is JKEFKUZQFIJDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-3-14-6-9(12)4-5-10(14)7-13(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid?
2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid has a molecular weight of 232.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 166828238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).