2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid

C21H25ClN2O2 — CID 122042922

IUPAC2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-23(15-21(25)26)20-10-12-24(13-11-20)14-16-2-4-17(5-3-16)18-6-8-19(22)9-7-18/h2-9,20H,10-15H2,1H3,(H,25,26)
InChIKeyCAVVQRNOOXRLCC-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.99
Rot. Bonds6

About 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid

2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid (PubChem CID 122042922) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
PubChem CID122042922
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H25ClN2O2/c1-23(15-21(25)26)20-10-12-24(13-11-20)14-16-2-4-17(5-3-16)18-6-8-19(22)9-7-18/h2-9,20H,10-15H2,1H3,(H,25,26)
InChIKeyCAVVQRNOOXRLCC-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263
2-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042871
2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548256
2-[[1-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042923
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
2-[[1-[(5-chloro-2-fluorophenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043538
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
2-[[1-[(4-chloro-2,6-dimethylphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043546
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042886
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid (CID 122042922) is 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid is CN(CC(=O)O)C1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid?
The InChIKey is CAVVQRNOOXRLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-23(15-21(25)26)20-10-12-24(13-11-20)14-16-2-4-17(5-3-16)18-6-8-19(22)9-7-18/h2-9,20H,10-15H2,1H3,(H,25,26).
What are the key properties of 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid?
2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid has a molecular weight of 372.90 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 122042922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).