1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate

C13H24N2O4 — CID 83866843

IUPAC1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate
SMILESCNC1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-6-10(14-4)9(8-15)11(16)18-5/h9-10,14H,6-8H2,1-5H3
InChIKeyFTPOTQXHTNRPEC-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds2

About 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate (PubChem CID 83866843) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate
PubChem CID83866843
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate
SMILESCNC1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-6-10(14-4)9(8-15)11(16)18-5/h9-10,14H,6-8H2,1-5H3
InChIKeyFTPOTQXHTNRPEC-UHFFFAOYSA-N
XLogP1.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate
CID 59216628
tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
CID 130156406
tert-butyl (3S,4S)-4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 134482174
1-O-tert-butyl 3-O-methyl (3R,4S)-4-[[(1S)-1-phenylethyl]amino]piperidine-1,3-dicarboxylate
CID 58745527
1-O-tert-butyl 3-O-methyl 4-(3-methoxy-3-oxopropanoyl)piperidine-1,3-dicarboxylate
CID 146643804
1-O-tert-butyl 3-O-methyl 4-methylpyrrolidine-1,3-dicarboxylate
CID 23590627
1-O-tert-butyl 3-O-methyl 4-cyclopropylpyrrolidine-1,3-dicarboxylate
CID 68646619
4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
CID 76854085
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(propylamino)piperidine-1,3-dicarboxylate
CID 129493378
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(cyclopropylmethylamino)piperidine-1,3-dicarboxylate
CID 129493476
1-O-tert-butyl 3-O-methyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate
CID 58582417
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate (CID 83866843) is 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate is CNC1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate?
The InChIKey is FTPOTQXHTNRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-6-10(14-4)9(8-15)11(16)18-5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate is sourced from PubChem (CID 83866843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).