2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid

C21H25ClN2O2 — CID 110161318

IUPAC2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-18-8-6-17(7-9-18)10-13-24(16-21(25)26)20-11-14-23(15-12-20)19-4-2-1-3-5-19/h1-9,20H,10-16H2,(H,25,26)
InChIKeyWDXHTWOZNQXMMY-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.94
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid

2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid (PubChem CID 110161318) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid
PubChem CID110161318
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-18-8-6-17(7-9-18)10-13-24(16-21(25)26)20-11-14-23(15-12-20)19-4-2-1-3-5-19/h1-9,20H,10-16H2,(H,25,26)
InChIKeyWDXHTWOZNQXMMY-UHFFFAOYSA-N
XLogP3.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161320
2-[2-(4-chlorophenyl)ethyl-[1-(3-methoxyphenyl)piperidin-4-yl]amino]acetic acid
CID 110161321
2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid
CID 110161331
2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 110161312
2-[2-(3,4-dimethoxyphenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161358
2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 175657128
2-[(4-fluorophenyl)methyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161354
3-[2-(3-chlorophenyl)ethyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]propanoic acid
CID 110161343
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
2-[(1,1-dioxothiolan-3-yl)-(2-phenylethyl)amino]acetic acid
CID 60838540
5-[[benzyl-[1-(4-chlorophenyl)piperidin-4-yl]amino]methyl]-2H-triazole-4-carboxylic acid
CID 155250390
2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid
CID 54945677

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid (CID 110161318) is 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid is O=C(O)CN(CCc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid?
The InChIKey is WDXHTWOZNQXMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-18-8-6-17(7-9-18)10-13-24(16-21(25)26)20-11-14-23(15-12-20)19-4-2-1-3-5-19/h1-9,20H,10-16H2,(H,25,26).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid?
2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid has a molecular weight of 372.90 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 110161318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).