methyl 1-(2-cyanoethyl)piperidine-4-carboxylate

C10H16N2O2 — CID 24707505

IUPACmethyl 1-(2-cyanoethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCC#N)CC1
InChIInChI=1S/C10H16N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-4,6-8H2,1H3
InChIKeyOFAZMLKXFXBXJC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.79
Rot. Bonds3

About methyl 1-(2-cyanoethyl)piperidine-4-carboxylate

methyl 1-(2-cyanoethyl)piperidine-4-carboxylate (PubChem CID 24707505) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 1-(2-cyanoethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyanoethyl)piperidine-4-carboxylate
PubChem CID24707505
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 1-(2-cyanoethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCC#N)CC1
InChIInChI=1S/C10H16N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-4,6-8H2,1H3
InChIKeyOFAZMLKXFXBXJC-UHFFFAOYSA-N
XLogP0.79
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyanoethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-cyanoethyl)piperidine-4-carboxylate (CID 24707505) is methyl 1-(2-cyanoethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-cyanoethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-cyanoethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCC#N)CC1.
What is the InChIKey of methyl 1-(2-cyanoethyl)piperidine-4-carboxylate?
The InChIKey is OFAZMLKXFXBXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-4,6-8H2,1H3.
What are the key properties of methyl 1-(2-cyanoethyl)piperidine-4-carboxylate?
methyl 1-(2-cyanoethyl)piperidine-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyanoethyl)piperidine-4-carboxylate is sourced from PubChem (CID 24707505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).