methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate

C15H22N2O2 — CID 117021047

IUPACmethyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate
SMILESCOC(=O)c1cccc(N2CC(N)CCC2(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-15(2)8-7-12(16)10-17(15)13-6-4-5-11(9-13)14(18)19-3/h4-6,9,12H,7-8,10,16H2,1-3H3
InChIKeyUEICXDKWVVBXHO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.18
Rot. Bonds2

About methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate

methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate (PubChem CID 117021047) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate
PubChem CID117021047
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate
SMILESCOC(=O)c1cccc(N2CC(N)CCC2(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-15(2)8-7-12(16)10-17(15)13-6-4-5-11(9-13)14(18)19-3/h4-6,9,12H,7-8,10,16H2,1-3H3
InChIKeyUEICXDKWVVBXHO-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-hydroxy-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019990
methyl 3-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019246
methyl 3-(3-cyano-2,2-dimethylpyrrolidin-1-yl)benzoate
CID 117017237
methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate
CID 142835055
methyl 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)benzoate
CID 117024249
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
methyl 3-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzoate
CID 2859931
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
ethyl 1-(3-methoxycarbonylphenyl)aziridine-2-carboxylate
CID 117010018
1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018128
methyl 3-(3,6-dihydro-2H-pyridin-1-yl)benzoate
CID 91586710
methyl 3-(3-aminoazetidin-1-yl)sulfonylbenzoate
CID 65245121

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate?
The IUPAC name of methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate (CID 117021047) is methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate?
The canonical SMILES for methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate is COC(=O)c1cccc(N2CC(N)CCC2(C)C)c1.
What is the InChIKey of methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate?
The InChIKey is UEICXDKWVVBXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)8-7-12(16)10-17(15)13-6-4-5-11(9-13)14(18)19-3/h4-6,9,12H,7-8,10,16H2,1-3H3.
What are the key properties of methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate?
methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate is sourced from PubChem (CID 117021047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).