ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate

C13H19N3O2 — CID 653131

IUPACethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-7-15(8-10-16)11-12-5-3-4-6-14-12/h3-6H,2,7-11H2,1H3
InChIKeyNFLJJYCJQZNSPK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds3

About ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate

ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 653131) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
PubChem CID653131
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-7-15(8-10-16)11-12-5-3-4-6-14-12/h3-6H,2,7-11H2,1H3
InChIKeyNFLJJYCJQZNSPK-UHFFFAOYSA-N
XLogP1.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(pyridin-2-ylmethyl)piperazine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate (CID 653131) is ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is NFLJJYCJQZNSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-7-15(8-10-16)11-12-5-3-4-6-14-12/h3-6H,2,7-11H2,1H3.
What are the key properties of ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate?
ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 653131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).