2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid

C21H25ClN2O2 — CID 110161367

IUPAC2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid
SMILESCc1ccccc1N1CCC(N(CC(=O)O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-16-5-2-3-8-20(16)23-11-9-19(10-12-23)24(15-21(25)26)14-17-6-4-7-18(22)13-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,26)
InChIKeyJYNKOOQUTNOLLM-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.20
Rot. Bonds6

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

2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid (PubChem CID 110161367) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid
PubChem CID110161367
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid
SMILESCc1ccccc1N1CCC(N(CC(=O)O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-16-5-2-3-8-20(16)23-11-9-19(10-12-23)24(15-21(25)26)14-17-6-4-7-18(22)13-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,26)
InChIKeyJYNKOOQUTNOLLM-UHFFFAOYSA-N
XLogP4.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-fluorophenyl)piperidin-4-yl]-[[3-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 110161347
2-[(3-chlorophenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 129365619
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid
CID 110161396
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-[cyclopropyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65057866
2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 65058788
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid
CID 65058304
2-[[1-(3-bromo-2-cyanophenyl)piperidin-4-yl]-ethylamino]acetic acid
CID 122062256
3-[2-(3-chlorophenyl)ethyl-[1-(4-fluorophenyl)piperidin-4-yl]amino]propanoic acid
CID 110161343

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid (CID 110161367) is 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid is Cc1ccccc1N1CCC(N(CC(=O)O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is JYNKOOQUTNOLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-16-5-2-3-8-20(16)23-11-9-19(10-12-23)24(15-21(25)26)14-17-6-4-7-18(22)13-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,26).
What are the key properties of 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid?
2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 372.90 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-[1-(2-methylphenyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 110161367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).