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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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).