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

C15H22N2O2 — CID 117004930

IUPAC2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
SMILESCc1cccc(N2CCCC(N(C)CC(=O)O)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-5-3-6-13(9-12)17-8-4-7-14(10-17)16(2)11-15(18)19/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyKZMBJGOUNSPHOV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.98
Rot. Bonds4

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

2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid (PubChem CID 117004930) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
PubChem CID117004930
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
SMILESCc1cccc(N2CCCC(N(C)CC(=O)O)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-5-3-6-13(9-12)17-8-4-7-14(10-17)16(2)11-15(18)19/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyKZMBJGOUNSPHOV-UHFFFAOYSA-N
XLogP1.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984
3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
CID 122029147
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
2-[[1-(4-ethylphenyl)pyrrolidin-3-yl]-methylamino]acetic acid
CID 117004246
2-[methyl-[(4R)-1-[(2R)-2-(3-methylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129399199
2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005019
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 175657128
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
CID 96522063

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid (CID 117004930) is 2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid is Cc1cccc(N2CCCC(N(C)CC(=O)O)C2)c1.
What is the InChIKey of 2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid?
The InChIKey is KZMBJGOUNSPHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-5-3-6-13(9-12)17-8-4-7-14(10-17)16(2)11-15(18)19/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid?
2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 1.98, 4 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)piperidin-3-yl]amino]acetic acid is sourced from PubChem (CID 117004930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).