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

C20H22F2N2O2 — CID 110161354

IUPAC2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F2N2O2/c21-16-3-1-15(2-4-16)13-24(14-20(25)26)19-9-11-23(12-10-19)18-7-5-17(22)6-8-18/h1-8,19H,9-14H2,(H,25,26)
InChIKeyDMCDBYCFEGNTAF-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.52
Rot. Bonds6

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

2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid (PubChem CID 110161354) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
PubChem CID110161354
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F2N2O2/c21-16-3-1-15(2-4-16)13-24(14-20(25)26)19-9-11-23(12-10-19)18-7-5-17(22)6-8-18/h1-8,19H,9-14H2,(H,25,26)
InChIKeyDMCDBYCFEGNTAF-UHFFFAOYSA-N
XLogP3.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide
CID 146167149
N-(1-(2-fluoro-2-(2-fluorophenyl)ethyl)piperidin-4-yl)-N-phenylpropanamide
CID 146167150
N-[1-[2-fluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 153387667
N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 153387671
4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)
CID 43543
1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid
CID 43544
2-(4-Benzyl-piperazin-1-yl)-N-(3,4-difluoro-phenyl)-acetamide
CID 24747119
CID 44143163
CID 44143163
(3R,4R)-1-phenyl-4-(2,4,5-trifluorophenyl)piperidin-3-amine;2,2,2-trifluoroacetic acid
CID 49797223
Para-fluoro benzyl fentanyl
CID 10545121
Sodium 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
CID 2724432
1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid monohydrochloride
CID 51062761

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid (CID 110161354) is 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid is O=C(O)CN(Cc1ccc(F)cc1)C1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is DMCDBYCFEGNTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-16-3-1-15(2-4-16)13-24(14-20(25)26)19-9-11-23(12-10-19)18-7-5-17(22)6-8-18/h1-8,19H,9-14H2,(H,25,26).
What are the key properties of 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid?
2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 360.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 110161354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).