tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate

C11H18N2O3 — CID 83670143

IUPACtert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C(C#N)C1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8-9,14H,4-5,7H2,1-3H3
InChIKeyJVFCXPLRCMOAAG-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.13
Rot. Bonds

About tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate

tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate (PubChem CID 83670143) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate
PubChem CID83670143
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C(C#N)C1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8-9,14H,4-5,7H2,1-3H3
InChIKeyJVFCXPLRCMOAAG-UHFFFAOYSA-N
XLogP1.13
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-cyano-4-hydroxypiperidine-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 4-cyano-3-hydroxypiperidine-1-carboxylate
CID 54013516
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3S,4R)-3-cyano-4-methylpyrrolidine-1-carboxylate
CID 58030017
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl 4-cyano-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 142582609
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S,4S)-4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 134482174
4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 83681070
tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
CID 155905155
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate (CID 83670143) is tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)C(C#N)C1.
What is the InChIKey of tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate?
The InChIKey is JVFCXPLRCMOAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8-9,14H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate?
tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 83670143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).