tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate

C14H27NO2 — CID 10900787

IUPACtert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
SMILESCCC[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-6-8-12-10-7-9-11(2)15(12)13(16)17-14(3,4)5/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyVUYCICJKIMXBKT-NEPJUHHUSA-N
MW241.37 g/mol
LogP3.96
Rot. Bonds2

About tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate

tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate (PubChem CID 10900787) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
PubChem CID10900787
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
SMILESCCC[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-6-8-12-10-7-9-11(2)15(12)13(16)17-14(3,4)5/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyVUYCICJKIMXBKT-NEPJUHHUSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
CID 70015662
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-methyl-5-propylpyrrolidine-1-carboxylate;carbon dioxide
CID 165081876
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate
CID 155694850
tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate
CID 104892491
tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate
CID 116685387
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
ditert-butyl (2S,5S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 91484630
tert-butyl 2-methyl-6-(2-oxo-2-thiophen-2-ylethyl)piperidine-1-carboxylate
CID 104892458
tert-butyl (2S,6R)-2-methyl-6-[(E)-tridec-1-enyl]piperidine-1-carboxylate
CID 24774507
tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate
CID 42645909

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate (CID 10900787) is tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate is CCC[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate?
The InChIKey is VUYCICJKIMXBKT-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-8-12-10-7-9-11(2)15(12)13(16)17-14(3,4)5/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate?
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate is sourced from PubChem (CID 10900787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).