tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate

C14H24N2O2 — CID 102209671

IUPACtert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate
SMILESCC[C@]1(C#N)CCC[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O2/c1-6-14(10-15)9-7-8-11(2)16(14)12(17)18-13(3,4)5/h11H,6-9H2,1-5H3/t11-,14-/m1/s1
InChIKeyQRZVSCWXZIFKGV-BXUZGUMPSA-N
MW252.36 g/mol
LogP3.47
Rot. Bonds1

About tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate

tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate (PubChem CID 102209671) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate
PubChem CID102209671
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate
SMILESCC[C@]1(C#N)CCC[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O2/c1-6-14(10-15)9-7-8-11(2)16(14)12(17)18-13(3,4)5/h11H,6-9H2,1-5H3/t11-,14-/m1/s1
InChIKeyQRZVSCWXZIFKGV-BXUZGUMPSA-N
XLogP3.47
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate
CID 172909035
2-ethoxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 174885391
tert-butyl (2R)-2-(3-chloropropyl)-2-cyanopyrrolidine-1-carboxylate
CID 124580118
2-(hydroxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90318891
tert-butyl (2R)-2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
CID 86328278
tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126626029
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 57425738
tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate
CID 162341768
2-(butoxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90330018
tert-butyl 3-(1-cyano-3-methylcyclohexyl)-3-hydroxyazetidine-1-carboxylate
CID 79124102
tert-butyl 1-(1-hydroxy-2-methylpropan-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67328727

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate (CID 102209671) is tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate is CC[C@]1(C#N)CCC[C@@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate?
The InChIKey is QRZVSCWXZIFKGV-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-14(10-15)9-7-8-11(2)16(14)12(17)18-13(3,4)5/h11H,6-9H2,1-5H3/t11-,14-/m1/s1.
What are the key properties of tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate?
tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate is sourced from PubChem (CID 102209671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).