2-pyrrolidin-1-ylethyl piperazine-2-carboxylate

C11H21N3O2 — CID 67014330

IUPAC2-pyrrolidin-1-ylethyl piperazine-2-carboxylate
SMILESO=C(OCCN1CCCC1)C1CNCCN1
InChIInChI=1S/C11H21N3O2/c15-11(10-9-12-3-4-13-10)16-8-7-14-5-1-2-6-14/h10,12-13H,1-9H2
InChIKeyIQUNQPSLVUVFPF-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.81
Rot. Bonds4

About 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate

2-pyrrolidin-1-ylethyl piperazine-2-carboxylate (PubChem CID 67014330) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl piperazine-2-carboxylate
PubChem CID67014330
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-pyrrolidin-1-ylethyl piperazine-2-carboxylate
SMILESO=C(OCCN1CCCC1)C1CNCCN1
InChIInChI=1S/C11H21N3O2/c15-11(10-9-12-3-4-13-10)16-8-7-14-5-1-2-6-14/h10,12-13H,1-9H2
InChIKeyIQUNQPSLVUVFPF-UHFFFAOYSA-N
XLogP-0.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate (CID 67014330) is 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate is O=C(OCCN1CCCC1)C1CNCCN1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate?
The InChIKey is IQUNQPSLVUVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c15-11(10-9-12-3-4-13-10)16-8-7-14-5-1-2-6-14/h10,12-13H,1-9H2.
What are the key properties of 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate?
2-pyrrolidin-1-ylethyl piperazine-2-carboxylate has a molecular weight of 227.31 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl piperazine-2-carboxylate is sourced from PubChem (CID 67014330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).