1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate

C14H26N2O4 — CID 46839935

IUPAC1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10,15H2,1-4H3
InChIKeyUHHUEAGCENEXAJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.53
Rot. Bonds3

About 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate (PubChem CID 46839935) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
PubChem CID46839935
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10,15H2,1-4H3
InChIKeyUHHUEAGCENEXAJ-UHFFFAOYSA-N
XLogP1.53
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
1-tert-Butyl 4-ethyl 4-methylpiperidine-1,4-dicarboxylate
CID 16218276
1,4-Di-tert-butyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 21948349
1-tert-Butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 25418822
1-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
1-Tert-butyl 4-ethyl 4-acetylpiperidine-1,4-dicarboxylate
CID 82124676
Methyl 4-((((tert-butoxy)carbonyl)amino)methyl)piperidine-4-carboxylate
CID 117100495
rac-1-tert-butyl 4-ethyl (3R,4R)-3-aminopiperidine-1,4-dicarboxylate
CID 137942804
Methyl 4-((((tert-butoxy)carbonyl)amino)methyl)piperidine-4-carboxylate hydrochloride
CID 138039808
1-tert-Butyl 4-ethyl 4-(trifluoromethyl)piperidine-1,4-dicarboxylate
CID 21054722
4-(2,2,2-Trifluoro-ethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
CID 59527747
1-tert-butyl 4-Ethyl 3,3-difluoro-4-methylpiperidine-1,4-dicarboxylate
CID 73977833

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate (CID 46839935) is 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate is CCOC(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate?
The InChIKey is UHHUEAGCENEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10,15H2,1-4H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate is sourced from PubChem (CID 46839935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).