tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate

C15H26N2O2 — CID 66732195

IUPACtert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CC(C#N)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-11(2)8-13-9-12(10-16)6-7-17(13)14(18)19-15(3,4)5/h11-13H,6-9H2,1-5H3
InChIKeyRKXCDXUJWLPXQL-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate

tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate (PubChem CID 66732195) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate
PubChem CID66732195
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CC(C#N)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-11(2)8-13-9-12(10-16)6-7-17(13)14(18)19-15(3,4)5/h11-13H,6-9H2,1-5H3
InChIKeyRKXCDXUJWLPXQL-UHFFFAOYSA-N
XLogP3.57
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl (2R)-4-cyano-2-methylpiperidine-1-carboxylate
CID 155905122
tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
CID 84813183
(3R)-3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 20828625
(2S)-3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 69352248
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl (2S,4S)-4-cyano-2-(methylperoxymethyl)pyrrolidine-1-carboxylate
CID 88545478
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
(2S,3R)-3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 142170933
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
tert-butyl 2-[2-(2-cyanoethylamino)propyl]piperidine-1-carboxylate
CID 79537473

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate (CID 66732195) is tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate is CC(C)CC1CC(C#N)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate?
The InChIKey is RKXCDXUJWLPXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)8-13-9-12(10-16)6-7-17(13)14(18)19-15(3,4)5/h11-13H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate?
tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 66732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).