dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate

C14H25NO4 — CID 134966511

IUPACdimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)[C@H]1CCN(C(=O)OC)[C@@H](CC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-14(2,3)9-11-8-10(12(16)18-4)6-7-15(11)13(17)19-5/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyMGOIRAONUUIUCU-WDEREUQCSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds2

About dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate

dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate (PubChem CID 134966511) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate
PubChem CID134966511
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namedimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)[C@H]1CCN(C(=O)OC)[C@@H](CC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-14(2,3)9-11-8-10(12(16)18-4)6-7-15(11)13(17)19-5/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyMGOIRAONUUIUCU-WDEREUQCSA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate (CID 134966511) is dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate is COC(=O)[C@H]1CCN(C(=O)OC)[C@@H](CC(C)(C)C)C1.
What is the InChIKey of dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate?
The InChIKey is MGOIRAONUUIUCU-WDEREUQCSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)9-11-8-10(12(16)18-4)6-7-15(11)13(17)19-5/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate?
dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate is sourced from PubChem (CID 134966511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).