tert-butyl (2R)-2-cyanopiperidine-1-carboxylate

C11H18N2O2 — CID 7019482

IUPACtert-butyl (2R)-2-cyanopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C#N
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyLKAJZBMOVZIKHA-SECBINFHSA-N
MW210.28 g/mol
LogP2.30
Rot. Bonds

About tert-butyl (2R)-2-cyanopiperidine-1-carboxylate

tert-butyl (2R)-2-cyanopiperidine-1-carboxylate (PubChem CID 7019482) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is tert-butyl (2R)-2-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-cyanopiperidine-1-carboxylate
PubChem CID7019482
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nametert-butyl (2R)-2-cyanopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C#N
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyLKAJZBMOVZIKHA-SECBINFHSA-N
XLogP2.30
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-2-cyanopiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-ethynylpyrrolidine-1-carboxylate
CID 10262067
tert-butyl 2-(2-iodoethynyl)piperidine-1-carboxylate
CID 10860621
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10704682
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl 2-carbonocyanidoylpyrrolidine-1-carboxylate
CID 130156507
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-cyanopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-cyanopiperidine-1-carboxylate (CID 7019482) is tert-butyl (2R)-2-cyanopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-cyanopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-cyanopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1C#N.
What is the InChIKey of tert-butyl (2R)-2-cyanopiperidine-1-carboxylate?
The InChIKey is LKAJZBMOVZIKHA-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-cyanopiperidine-1-carboxylate?
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 7019482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).