tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate

C13H24N2O3 — CID 115047873

IUPACtert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(=O)CN)CC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-7-5-13(4,6-8-15)10(16)9-14/h5-9,14H2,1-4H3
InChIKeyOKPPWWFHDVZGEL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.55
Rot. Bonds2

About tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate (PubChem CID 115047873) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
PubChem CID115047873
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(=O)CN)CC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-7-5-13(4,6-8-15)10(16)9-14/h5-9,14H2,1-4H3
InChIKeyOKPPWWFHDVZGEL-UHFFFAOYSA-N
XLogP1.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 121418713
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 4,4-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 86719232
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
1-O-tert-butyl 4-O-(3-methylbut-2-enyl) 4-methylpiperidine-1,4-dicarboxylate
CID 175346524
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate;N,4-dimethylpiperidine-4-carboxamide;dihydrochloride
CID 159762933
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate (CID 115047873) is tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(C(=O)CN)CC1.
What is the InChIKey of tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate?
The InChIKey is OKPPWWFHDVZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-7-5-13(4,6-8-15)10(16)9-14/h5-9,14H2,1-4H3.
What are the key properties of tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 115047873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).