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

C13H24N2O4 — CID 25418822

IUPAC1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9,14H2,1-4H3
InChIKeyHZHZQEZZXBLFHO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.14
Rot. Bonds2

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

1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate (PubChem CID 25418822) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
PubChem CID25418822
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9,14H2,1-4H3
InChIKeyHZHZQEZZXBLFHO-UHFFFAOYSA-N
XLogP1.14
TPSA81.86 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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
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-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
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
Methyl 1-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-4-carboxylate
CID 88991122
1-O-tert-butyl 4-O-methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1,4-dicarboxylate
CID 88991157
1-O-tert-butyl 4-O-methyl 4-(2,2-difluoropropylcarbamoyl)piperidine-1,4-dicarboxylate
CID 166454777
1-O-tert-butyl 4-O-(fluoromethyl) 4-ethylpiperidine-1,4-dicarboxylate
CID 175201416
1-O-tert-butyl 4-O-methyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate
CID 84810703

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate (CID 25418822) is 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate is COC(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate?
The InChIKey is HZHZQEZZXBLFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9,14H2,1-4H3.
What are the key properties of 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.14, 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 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate is sourced from PubChem (CID 25418822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).