3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid

C20H32N2O3 — CID 135320625

IUPAC3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCc1cc(N)c(OC(C)C)cc1C1CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C20H32N2O3/c1-13(2)25-18-11-16(14(3)10-17(18)21)15-6-8-22(9-7-15)12-20(4,5)19(23)24/h10-11,13,15H,6-9,12,21H2,1-5H3,(H,23,24)
InChIKeyUWZMMBUUFDWTDW-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.65
Rot. Bonds6

About 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid

3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 135320625) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID135320625
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCc1cc(N)c(OC(C)C)cc1C1CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C20H32N2O3/c1-13(2)25-18-11-16(14(3)10-17(18)21)15-6-8-22(9-7-15)12-20(4,5)19(23)24/h10-11,13,15H,6-9,12,21H2,1-5H3,(H,23,24)
InChIKeyUWZMMBUUFDWTDW-UHFFFAOYSA-N
XLogP3.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)aniline
CID 121444554
4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine
CID 159374429
3-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonyl-3-pyridinyl)amino]pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 135320634
tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate
CID 125396711
4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-6-tert-butyl-2,6-dimethyl-2,5-dihydropyridine-1-carboxylic acid
CID 138678702
5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline
CID 140843860
3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide
CID 89112791
4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2-methoxy-6-methylpiperidine-2,6-diol
CID 144736293
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
2-cyclopropyloxy-4-(1,3-dimethylpiperidin-4-yl)-5-methylaniline;2-cyclopropyloxy-4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methylaniline;ethane;4-[2-(methoxymethyl)-1-methylpiperidin-4-yl]-5-methyl-2-propan-2-yloxyaniline
CID 144966604
2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid (CID 135320625) is 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid is Cc1cc(N)c(OC(C)C)cc1C1CCN(CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is UWZMMBUUFDWTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-13(2)25-18-11-16(14(3)10-17(18)21)15-6-8-22(9-7-15)12-20(4,5)19(23)24/h10-11,13,15H,6-9,12,21H2,1-5H3,(H,23,24).
What are the key properties of 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid?
3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 348.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 135320625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).