methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate

C15H22N2O2 — CID 117019247

IUPACmethyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCCC(N)C2(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2)13(16)5-4-10-17(15)12-8-6-11(7-9-12)14(18)19-3/h6-9,13H,4-5,10,16H2,1-3H3
InChIKeyWVIGYGPUVYWLDT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.18
Rot. Bonds2

About methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate

methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate (PubChem CID 117019247) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
PubChem CID117019247
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCCC(N)C2(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2)13(16)5-4-10-17(15)12-8-6-11(7-9-12)14(18)19-3/h6-9,13H,4-5,10,16H2,1-3H3
InChIKeyWVIGYGPUVYWLDT-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-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019246
methyl 4-[(3S)-3-methylpiperidin-1-yl]benzoate
CID 90090006
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine
CID 117019255
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 120779154
methyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 22730271
methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate
CID 178103490
methyl 4-[(1S,2S,6S,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzoate
CID 6543396
methyl 4-[(1R,2R,6R,7R)-3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl]benzoate
CID 98171819
methyl 4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzoate
CID 146325637
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[10-(4-methoxycarbonylphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]benzoate
CID 2849015
methyl 4-(2,3,4-trimethylpiperidin-1-yl)benzoate
CID 58023130

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate?
The IUPAC name of methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate (CID 117019247) is methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate.
What is the SMILES notation for methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate?
The canonical SMILES for methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate is COC(=O)c1ccc(N2CCCC(N)C2(C)C)cc1.
What is the InChIKey of methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate?
The InChIKey is WVIGYGPUVYWLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)13(16)5-4-10-17(15)12-8-6-11(7-9-12)14(18)19-3/h6-9,13H,4-5,10,16H2,1-3H3.
What are the key properties of methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate?
methyl 4-(3-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 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate is sourced from PubChem (CID 117019247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).