2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid

C10H19FN2O2 — CID 106813835

IUPAC2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(CCF)C1
InChIInChI=1S/C10H19FN2O2/c11-3-5-13-4-1-2-9(8-13)6-12-7-10(14)15/h9,12H,1-8H2,(H,14,15)
InChIKeyQKAZWSIPVXWLOM-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.34
Rot. Bonds6

About 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813835) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813835
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(CCF)C1
InChIInChI=1S/C10H19FN2O2/c11-3-5-13-4-1-2-9(8-13)6-12-7-10(14)15/h9,12H,1-8H2,(H,14,15)
InChIKeyQKAZWSIPVXWLOM-UHFFFAOYSA-N
XLogP0.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid (CID 106813835) is 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(CCF)C1.
What is the InChIKey of 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is QKAZWSIPVXWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c11-3-5-13-4-1-2-9(8-13)6-12-7-10(14)15/h9,12H,1-8H2,(H,14,15).
What are the key properties of 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 218.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluoroethyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).