dimethyl 3-hydroxypiperidine-1,4-dicarboxylate

C9H15NO5 — CID 122573790

IUPACdimethyl 3-hydroxypiperidine-1,4-dicarboxylate
SMILESCOC(=O)C1CCN(C(=O)OC)CC1O
InChIInChI=1S/C9H15NO5/c1-14-8(12)6-3-4-10(5-7(6)11)9(13)15-2/h6-7,11H,3-5H2,1-2H3
InChIKeySOWUXORVXIBXNF-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.39
Rot. Bonds1

About dimethyl 3-hydroxypiperidine-1,4-dicarboxylate

dimethyl 3-hydroxypiperidine-1,4-dicarboxylate (PubChem CID 122573790) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is dimethyl 3-hydroxypiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-hydroxypiperidine-1,4-dicarboxylate
PubChem CID122573790
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namedimethyl 3-hydroxypiperidine-1,4-dicarboxylate
SMILESCOC(=O)C1CCN(C(=O)OC)CC1O
InChIInChI=1S/C9H15NO5/c1-14-8(12)6-3-4-10(5-7(6)11)9(13)15-2/h6-7,11H,3-5H2,1-2H3
InChIKeySOWUXORVXIBXNF-UHFFFAOYSA-N
XLogP-0.39
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate
CID 15778473
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
CID 123981313
CID 123981313
methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 130875347
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
dimethyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 10130414
1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate
CID 59216628

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-hydroxypiperidine-1,4-dicarboxylate?
The IUPAC name of dimethyl 3-hydroxypiperidine-1,4-dicarboxylate (CID 122573790) is dimethyl 3-hydroxypiperidine-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-hydroxypiperidine-1,4-dicarboxylate?
The canonical SMILES for dimethyl 3-hydroxypiperidine-1,4-dicarboxylate is COC(=O)C1CCN(C(=O)OC)CC1O.
What is the InChIKey of dimethyl 3-hydroxypiperidine-1,4-dicarboxylate?
The InChIKey is SOWUXORVXIBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-14-8(12)6-3-4-10(5-7(6)11)9(13)15-2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of dimethyl 3-hydroxypiperidine-1,4-dicarboxylate?
dimethyl 3-hydroxypiperidine-1,4-dicarboxylate has a molecular weight of 217.22 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-hydroxypiperidine-1,4-dicarboxylate is sourced from PubChem (CID 122573790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).