3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid

C17H26N2O2 — CID 62272318

IUPAC3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
SMILESCN(C)C1CCN(CC(C)(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(16(20)21,14-7-5-4-6-8-14)13-19-11-9-15(10-12-19)18(2)3/h4-8,15H,9-13H2,1-3H3,(H,20,21)
InChIKeyTZPZFVRUABYNTF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds5

About 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid

3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid (PubChem CID 62272318) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
PubChem CID62272318
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
SMILESCN(C)C1CCN(CC(C)(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(16(20)21,14-7-5-4-6-8-14)13-19-11-9-15(10-12-19)18(2)3/h4-8,15H,9-13H2,1-3H3,(H,20,21)
InChIKeyTZPZFVRUABYNTF-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 103539211
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
CID 62257862
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
CID 83046324
4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 83221625
4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 65248161
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64795781
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid (CID 62272318) is 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid is CN(C)C1CCN(CC(C)(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid?
The InChIKey is TZPZFVRUABYNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(16(20)21,14-7-5-4-6-8-14)13-19-11-9-15(10-12-19)18(2)3/h4-8,15H,9-13H2,1-3H3,(H,20,21).
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid?
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 62272318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).