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

C13H26N2O2 — CID 66660873

IUPACtert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
SMILESCC1(CCN)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-6-13(4,5-8-14)7-10-15/h5-10,14H2,1-4H3
InChIKeyZXAWHVKPOIYDRU-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.37
Rot. Bonds2

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

tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate (PubChem CID 66660873) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
PubChem CID66660873
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
SMILESCC1(CCN)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-6-13(4,5-8-14)7-10-15/h5-10,14H2,1-4H3
InChIKeyZXAWHVKPOIYDRU-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate
CID 166935935
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-methyl-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22248052
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
tert-butyl 2-(hydroxymethyl)-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657091
tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate (CID 66660873) is tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate is CC1(CCN)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate?
The InChIKey is ZXAWHVKPOIYDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-6-13(4,5-8-14)7-10-15/h5-10,14H2,1-4H3.
What are the key properties of tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 66660873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).