2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid

C20H21F3N2O2 — CID 110161375

IUPAC2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(F)cc(F)c1)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21F3N2O2/c21-15-1-3-18(4-2-15)24-7-5-19(6-8-24)25(13-20(26)27)12-14-9-16(22)11-17(23)10-14/h1-4,9-11,19H,5-8,12-13H2,(H,26,27)
InChIKeyHQUXEFSMIREUQB-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.66
Rot. Bonds6

About 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid

2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid (PubChem CID 110161375) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
PubChem CID110161375
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(F)cc(F)c1)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21F3N2O2/c21-15-1-3-18(4-2-15)24-7-5-19(6-8-24)25(13-20(26)27)12-14-9-16(22)11-17(23)10-14/h1-4,9-11,19H,5-8,12-13H2,(H,26,27)
InChIKeyHQUXEFSMIREUQB-UHFFFAOYSA-N
XLogP3.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161354
2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 110161312
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230
3-[2-(3-chlorophenyl)ethyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]propanoic acid
CID 110161343
2-[2-(4-chlorophenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161320
2-[[1-(2-fluorophenyl)piperidin-4-yl]-[[3-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 110161347
2-[(3,4-difluorophenyl)methyl-[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetic acid
CID 128998424
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571
2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid
CID 110161318
2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 65058356
2-[2-(3,4-dimethoxyphenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161358
2-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043247

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid (CID 110161375) is 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid is O=C(O)CN(Cc1cc(F)cc(F)c1)C1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is HQUXEFSMIREUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-15-1-3-18(4-2-15)24-7-5-19(6-8-24)25(13-20(26)27)12-14-9-16(22)11-17(23)10-14/h1-4,9-11,19H,5-8,12-13H2,(H,26,27).
What are the key properties of 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid?
2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 378.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 110161375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).