ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate

C12H22N2O2 — CID 57072792

IUPACethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C1CCCNC1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(15)11-6-4-8-14(11)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3
InChIKeyGMBOYNQYHYVBDA-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds3

About ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate

ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate (PubChem CID 57072792) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
PubChem CID57072792
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C1CCCNC1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(15)11-6-4-8-14(11)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3
InChIKeyGMBOYNQYHYVBDA-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate (CID 57072792) is ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C1CCCNC1.
What is the InChIKey of ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate?
The InChIKey is GMBOYNQYHYVBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-12(15)11-6-4-8-14(11)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3.
What are the key properties of ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate?
ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 57072792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).