cyanomethyl piperidine-2-carboxylate

C8H12N2O2 — CID 141438271

IUPACcyanomethyl piperidine-2-carboxylate
SMILESN#CCOC(=O)C1CCCCN1
InChIInChI=1S/C8H12N2O2/c9-4-6-12-8(11)7-3-1-2-5-10-7/h7,10H,1-3,5-6H2
InChIKeyRAMRJHYAGMYUGB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.20
Rot. Bonds2

About cyanomethyl piperidine-2-carboxylate

cyanomethyl piperidine-2-carboxylate (PubChem CID 141438271) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is cyanomethyl piperidine-2-carboxylate.

Molecular Properties

Compound Namecyanomethyl piperidine-2-carboxylate
PubChem CID141438271
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namecyanomethyl piperidine-2-carboxylate
SMILESN#CCOC(=O)C1CCCCN1
InChIInChI=1S/C8H12N2O2/c9-4-6-12-8(11)7-3-1-2-5-10-7/h7,10H,1-3,5-6H2
InChIKeyRAMRJHYAGMYUGB-UHFFFAOYSA-N
XLogP0.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyanomethyl piperidine-2-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

aminomethyl piperidine-2-carboxylate
CID 152636457
propyl piperidine-2-carboxylate
CID 43248024
cyclopropylmethyl (2S)-piperidine-2-carboxylate
CID 66262951
butyl (2S)-piperidine-2-carboxylate
CID 54130362
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
3-aminopropyl piperidine-2-carboxylate
CID 71376838
2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846
octyl (2R)-piperidine-2-carboxylate
CID 11096763
hexyl azocane-2-carboxylate
CID 114239843
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969

Frequently Asked Questions

What is the IUPAC name of cyanomethyl piperidine-2-carboxylate?
The IUPAC name of cyanomethyl piperidine-2-carboxylate (CID 141438271) is cyanomethyl piperidine-2-carboxylate.
What is the SMILES notation for cyanomethyl piperidine-2-carboxylate?
The canonical SMILES for cyanomethyl piperidine-2-carboxylate is N#CCOC(=O)C1CCCCN1.
What is the InChIKey of cyanomethyl piperidine-2-carboxylate?
The InChIKey is RAMRJHYAGMYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-4-6-12-8(11)7-3-1-2-5-10-7/h7,10H,1-3,5-6H2.
What are the key properties of cyanomethyl piperidine-2-carboxylate?
cyanomethyl piperidine-2-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl piperidine-2-carboxylate is sourced from PubChem (CID 141438271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).