ethyl 4-cyanopiperidine-4-carboxylate

C9H14N2O2 — CID 14294359

IUPACethyl 4-cyanopiperidine-4-carboxylate
SMILESCCOC(=O)C1(C#N)CCNCC1
InChIInChI=1S/C9H14N2O2/c1-2-13-8(12)9(7-10)3-5-11-6-4-9/h11H,2-6H2,1H3
InChIKeyUDRJSTYKNNFPAL-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.44
Rot. Bonds2

About ethyl 4-cyanopiperidine-4-carboxylate

ethyl 4-cyanopiperidine-4-carboxylate (PubChem CID 14294359) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 4-cyanopiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyanopiperidine-4-carboxylate
PubChem CID14294359
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl 4-cyanopiperidine-4-carboxylate
SMILESCCOC(=O)C1(C#N)CCNCC1
InChIInChI=1S/C9H14N2O2/c1-2-13-8(12)9(7-10)3-5-11-6-4-9/h11H,2-6H2,1H3
InChIKeyUDRJSTYKNNFPAL-UHFFFAOYSA-N
XLogP0.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyanopiperidine-4-carboxylate?
The IUPAC name of ethyl 4-cyanopiperidine-4-carboxylate (CID 14294359) is ethyl 4-cyanopiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-cyanopiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-cyanopiperidine-4-carboxylate is CCOC(=O)C1(C#N)CCNCC1.
What is the InChIKey of ethyl 4-cyanopiperidine-4-carboxylate?
The InChIKey is UDRJSTYKNNFPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-13-8(12)9(7-10)3-5-11-6-4-9/h11H,2-6H2,1H3.
What are the key properties of ethyl 4-cyanopiperidine-4-carboxylate?
ethyl 4-cyanopiperidine-4-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyanopiperidine-4-carboxylate is sourced from PubChem (CID 14294359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).