2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate

C15H27NO4 — CID 67523029

IUPAC2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
SMILESCCCCOC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-5-6-11-19-13(17)12-9-7-8-10-16(12)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyAPECJBJZLSBMRZ-GFCCVEGCSA-N
MW285.38 g/mol
LogP3.12
Rot. Bonds4

About 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate

2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate (PubChem CID 67523029) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
PubChem CID67523029
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
SMILESCCCCOC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-5-6-11-19-13(17)12-9-7-8-10-16(12)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyAPECJBJZLSBMRZ-GFCCVEGCSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-O-(3-bromopropyl) 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 21099364
1-O-butyl 2-O-tetradecyl piperidine-1,2-dicarboxylate
CID 91728540
1-O-tert-butyl 2-O-(4-nitrooxybutyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 21099367
1-O-tert-butyl 2-O-(4-nitrooxybutyl) pyrrolidine-1,2-dicarboxylate
CID 59287822
2-O-(3-bromopropyl) 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;sulfane
CID 161425758
2-O-octyl 1-O-propyl piperidine-1,2-dicarboxylate
CID 91725615
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
2-O-pentyl 1-O-prop-2-ynyl piperidine-1,2-dicarboxylate
CID 91724311
1-O-prop-2-ynyl 2-O-undecyl piperidine-1,2-dicarboxylate
CID 91724316
2-O-decyl 1-O-prop-2-ynyl piperidine-1,2-dicarboxylate
CID 91724315
butyl (2S)-1-(2-methylpropanoyl)piperidine-2-carboxylate
CID 54008050
butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 118516527

Frequently Asked Questions

What is the IUPAC name of 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate?
The IUPAC name of 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate (CID 67523029) is 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate is CCCCOC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate?
The InChIKey is APECJBJZLSBMRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27NO4/c1-5-6-11-19-13(17)12-9-7-8-10-16(12)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate?
2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate has a molecular weight of 285.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate is sourced from PubChem (CID 67523029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).