dimethyl (2R,6S)-piperidine-2,6-dicarboxylate

C9H15NO4 — CID 10679562

IUPACdimethyl (2R,6S)-piperidine-2,6-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC[C@H](C(=O)OC)N1
InChIInChI=1S/C9H15NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7+
InChIKeyDTBPRDQEECCDNY-KNVOCYPGSA-N
MW201.22 g/mol
LogP-0.16
Rot. Bonds2

About dimethyl (2R,6S)-piperidine-2,6-dicarboxylate

dimethyl (2R,6S)-piperidine-2,6-dicarboxylate (PubChem CID 10679562) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is dimethyl (2R,6S)-piperidine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,6S)-piperidine-2,6-dicarboxylate
PubChem CID10679562
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namedimethyl (2R,6S)-piperidine-2,6-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC[C@H](C(=O)OC)N1
InChIInChI=1S/C9H15NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7+
InChIKeyDTBPRDQEECCDNY-KNVOCYPGSA-N
XLogP-0.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,6S)-piperidine-2,6-dicarboxylate?
The IUPAC name of dimethyl (2R,6S)-piperidine-2,6-dicarboxylate (CID 10679562) is dimethyl (2R,6S)-piperidine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl (2R,6S)-piperidine-2,6-dicarboxylate?
The canonical SMILES for dimethyl (2R,6S)-piperidine-2,6-dicarboxylate is COC(=O)[C@@H]1CCC[C@H](C(=O)OC)N1.
What is the InChIKey of dimethyl (2R,6S)-piperidine-2,6-dicarboxylate?
The InChIKey is DTBPRDQEECCDNY-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H15NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7+.
What are the key properties of dimethyl (2R,6S)-piperidine-2,6-dicarboxylate?
dimethyl (2R,6S)-piperidine-2,6-dicarboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,6S)-piperidine-2,6-dicarboxylate is sourced from PubChem (CID 10679562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).