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

C16H24N2O2 — CID 82548262

IUPAC2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCc1cccc(CN2CCC(N(C)CC(=O)O)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-4-3-5-14(10-13)11-18-8-6-15(7-9-18)17(2)12-16(19)20/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyZSDPGNHQGPRNGC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.98
Rot. Bonds5

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

2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 82548262) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
PubChem CID82548262
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCc1cccc(CN2CCC(N(C)CC(=O)O)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-4-3-5-14(10-13)11-18-8-6-15(7-9-18)17(2)12-16(19)20/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyZSDPGNHQGPRNGC-UHFFFAOYSA-N
XLogP1.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548256
2-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
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
N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163349558
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042922
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid (CID 82548262) is 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid is Cc1cccc(CN2CCC(N(C)CC(=O)O)CC2)c1.
What is the InChIKey of 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is ZSDPGNHQGPRNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-4-3-5-14(10-13)11-18-8-6-15(7-9-18)17(2)12-16(19)20/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid?
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 276.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 82548262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).