dimethyl 4-aminopiperidine-1,4-dicarboxylate

C9H16N2O4 — CID 131627153

IUPACdimethyl 4-aminopiperidine-1,4-dicarboxylate
SMILESCOC(=O)N1CCC(N)(C(=O)OC)CC1
InChIInChI=1S/C9H16N2O4/c1-14-7(12)9(10)3-5-11(6-4-9)8(13)15-2/h3-6,10H2,1-2H3
InChIKeyDLAMVGGDYDNBMP-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.28
Rot. Bonds1

About dimethyl 4-aminopiperidine-1,4-dicarboxylate

dimethyl 4-aminopiperidine-1,4-dicarboxylate (PubChem CID 131627153) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is dimethyl 4-aminopiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-aminopiperidine-1,4-dicarboxylate
PubChem CID131627153
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namedimethyl 4-aminopiperidine-1,4-dicarboxylate
SMILESCOC(=O)N1CCC(N)(C(=O)OC)CC1
InChIInChI=1S/C9H16N2O4/c1-14-7(12)9(10)3-5-11(6-4-9)8(13)15-2/h3-6,10H2,1-2H3
InChIKeyDLAMVGGDYDNBMP-UHFFFAOYSA-N
XLogP-0.28
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
CID 21469156
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
methyl 4-carbamothioyl-4-methylpiperidine-1-carboxylate
CID 107161220
6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
CID 84715284
methyl 4-aminopiperidine-4-carboxylate
CID 22907215
methyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 83907145
methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate
CID 91798628
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride
CID 91798629
methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83907147

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-aminopiperidine-1,4-dicarboxylate?
The IUPAC name of dimethyl 4-aminopiperidine-1,4-dicarboxylate (CID 131627153) is dimethyl 4-aminopiperidine-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 4-aminopiperidine-1,4-dicarboxylate?
The canonical SMILES for dimethyl 4-aminopiperidine-1,4-dicarboxylate is COC(=O)N1CCC(N)(C(=O)OC)CC1.
What is the InChIKey of dimethyl 4-aminopiperidine-1,4-dicarboxylate?
The InChIKey is DLAMVGGDYDNBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-14-7(12)9(10)3-5-11(6-4-9)8(13)15-2/h3-6,10H2,1-2H3.
What are the key properties of dimethyl 4-aminopiperidine-1,4-dicarboxylate?
dimethyl 4-aminopiperidine-1,4-dicarboxylate has a molecular weight of 216.24 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-aminopiperidine-1,4-dicarboxylate is sourced from PubChem (CID 131627153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).