propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate

C10H16N2O2 — CID 130806171

IUPACpropan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC[C@@H](C#N)C1
InChIInChI=1S/C10H16N2O2/c1-8(2)14-10(13)12-5-3-4-9(6-11)7-12/h8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyJZJTYKBNGOWFFL-VIFPVBQESA-N
MW196.25 g/mol
LogP1.77
Rot. Bonds1

About propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate

propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate (PubChem CID 130806171) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
PubChem CID130806171
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namepropan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC[C@@H](C#N)C1
InChIInChI=1S/C10H16N2O2/c1-8(2)14-10(13)12-5-3-4-9(6-11)7-12/h8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyJZJTYKBNGOWFFL-VIFPVBQESA-N
XLogP1.77
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
1-acetylpiperidine-3-carbonitrile;ethane
CID 145255147
1-(3-methylpentanoyl)piperidine-3-carbonitrile
CID 114874755
(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
CID 81119636
propan-2-yl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 62356607
propan-2-yl 2-cyanomorpholine-4-carboxylate
CID 79674867
propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
CID 177326825
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
propan-2-yl 3-[(1R)-1-cyanoethoxy]pyrrolidine-1-carboxylate
CID 66742434
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
CID 65018910
propan-2-yl 4-(1-cyanoethoxy)piperidine-1-carboxylate
CID 66743137
(2,2-difluoro-3-hydroxypropyl) (3S)-3-cyanopiperidine-1-carboxylate
CID 129199259

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate?
The IUPAC name of propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate (CID 130806171) is propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate is CC(C)OC(=O)N1CCC[C@@H](C#N)C1.
What is the InChIKey of propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate?
The InChIKey is JZJTYKBNGOWFFL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)14-10(13)12-5-3-4-9(6-11)7-12/h8-9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate?
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 130806171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).