2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid

C22H27FN2O2 — CID 110161312

IUPAC2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid
SMILESCc1ccc(N2CCC(N(CCc3cccc(F)c3)CC(=O)O)CC2)cc1
InChIInChI=1S/C22H27FN2O2/c1-17-5-7-20(8-6-17)24-13-10-21(11-14-24)25(16-22(26)27)12-9-18-3-2-4-19(23)15-18/h2-8,15,21H,9-14,16H2,1H3,(H,26,27)
InChIKeyFSCADWHYEDIATD-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.73
Rot. Bonds7

About 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid

2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid (PubChem CID 110161312) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid
PubChem CID110161312
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid
SMILESCc1ccc(N2CCC(N(CCc3cccc(F)c3)CC(=O)O)CC2)cc1
InChIInChI=1S/C22H27FN2O2/c1-17-5-7-20(8-6-17)24-13-10-21(11-14-24)25(16-22(26)27)12-9-18-3-2-4-19(23)15-18/h2-8,15,21H,9-14,16H2,1H3,(H,26,27)
InChIKeyFSCADWHYEDIATD-UHFFFAOYSA-N
XLogP3.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161358
2-[2-(4-chlorophenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161320
2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 175657128
3-[2-(3-chlorophenyl)ethyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]propanoic acid
CID 110161343
2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161375
2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid
CID 110161318
2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161354
2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid
CID 110161331
2-[2-(4-chlorophenyl)ethyl-[1-(3-methoxyphenyl)piperidin-4-yl]amino]acetic acid
CID 110161321
[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 69165945
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221720
2-[cyclopropyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008170

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid (CID 110161312) is 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid is Cc1ccc(N2CCC(N(CCc3cccc(F)c3)CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is FSCADWHYEDIATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-17-5-7-20(8-6-17)24-13-10-21(11-14-24)25(16-22(26)27)12-9-18-3-2-4-19(23)15-18/h2-8,15,21H,9-14,16H2,1H3,(H,26,27).
What are the key properties of 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid?
2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 370.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 110161312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).