2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid

C15H21FN2O2 — CID 84747278

IUPAC2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid
SMILESCN1CCC(N(C)C(C(=O)O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O2/c1-17-8-6-13(7-9-17)18(2)14(15(19)20)11-4-3-5-12(16)10-11/h3-5,10,13-14H,6-9H2,1-2H3,(H,19,20)
InChIKeyZOBSHSVAFFBPAY-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.98
Rot. Bonds4

About 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid

2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid (PubChem CID 84747278) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid
PubChem CID84747278
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid
SMILESCN1CCC(N(C)C(C(=O)O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O2/c1-17-8-6-13(7-9-17)18(2)14(15(19)20)11-4-3-5-12(16)10-11/h3-5,10,13-14H,6-9H2,1-2H3,(H,19,20)
InChIKeyZOBSHSVAFFBPAY-UHFFFAOYSA-N
XLogP1.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid (CID 84747278) is 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid is CN1CCC(N(C)C(C(=O)O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid?
The InChIKey is ZOBSHSVAFFBPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17-8-6-13(7-9-17)18(2)14(15(19)20)11-4-3-5-12(16)10-11/h3-5,10,13-14H,6-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid?
2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid has a molecular weight of 280.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 84747278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).