tert-butyl 3-cyanopiperidine-1-carboxylate

C11H18N2O2 — CID 2756785

IUPACtert-butyl 3-cyanopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C#N)C1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3
InChIKeyUEFZTXGFHKPSFS-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.16
Rot. Bonds

About tert-butyl 3-cyanopiperidine-1-carboxylate

tert-butyl 3-cyanopiperidine-1-carboxylate (PubChem CID 2756785) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is tert-butyl 3-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyanopiperidine-1-carboxylate
PubChem CID2756785
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nametert-butyl 3-cyanopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C#N)C1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3
InChIKeyUEFZTXGFHKPSFS-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-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 4-cyanopiperidine-1-carboxylate
CID 1514443
Tert-butyl 2-cyanopiperidine-1-carboxylate
CID 2756784
Tert-butyl 4-(isocyanomethyl)piperidine-1-carboxylate
CID 22135013
tert-Butyl 4-cyanoazepane-1-carboxylate
CID 68216777
tert-Butyl (2S)-2-cyanopiperidine-1-carboxylate
CID 7009902
(S)-1-N-Boc-3-cyanopiperidine
CID 7009903
1-N-Boc-3-(R)-cyanopiperidine
CID 7019448
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
CID 7019482
rac-tert-butyl (1R,5S,6R)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 11579366
Tert-butyl 4-(3-cyanopropyl)piperidine-1-carboxylate
CID 18670516
tert-Butyl 4-(cyanomethyl)piperidine-1-carboxylate
CID 22248390
Tert-butyl 4-(2-cyanoacetyl)piperidine-1-carboxylate
CID 22265410

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyanopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-cyanopiperidine-1-carboxylate (CID 2756785) is tert-butyl 3-cyanopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-cyanopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-cyanopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C#N)C1.
What is the InChIKey of tert-butyl 3-cyanopiperidine-1-carboxylate?
The InChIKey is UEFZTXGFHKPSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3.
What are the key properties of tert-butyl 3-cyanopiperidine-1-carboxylate?
tert-butyl 3-cyanopiperidine-1-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 2756785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).