piperazin-2-ylmethyl pyrrolidine-1-carboxylate

C10H19N3O2 — CID 10850748

IUPACpiperazin-2-ylmethyl pyrrolidine-1-carboxylate
SMILESO=C(OCC1CNCCN1)N1CCCC1
InChIInChI=1S/C10H19N3O2/c14-10(13-5-1-2-6-13)15-8-9-7-11-3-4-12-9/h9,11-12H,1-8H2
InChIKeyGXHFTSQMFRDVFI-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.22
Rot. Bonds2

About piperazin-2-ylmethyl pyrrolidine-1-carboxylate

piperazin-2-ylmethyl pyrrolidine-1-carboxylate (PubChem CID 10850748) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is piperazin-2-ylmethyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepiperazin-2-ylmethyl pyrrolidine-1-carboxylate
PubChem CID10850748
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Namepiperazin-2-ylmethyl pyrrolidine-1-carboxylate
SMILESO=C(OCC1CNCCN1)N1CCCC1
InChIInChI=1S/C10H19N3O2/c14-10(13-5-1-2-6-13)15-8-9-7-11-3-4-12-9/h9,11-12H,1-8H2
InChIKeyGXHFTSQMFRDVFI-UHFFFAOYSA-N
XLogP-0.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazin-2-ylmethyl pyrrolidine-1-carboxylate?
The IUPAC name of piperazin-2-ylmethyl pyrrolidine-1-carboxylate (CID 10850748) is piperazin-2-ylmethyl pyrrolidine-1-carboxylate.
What is the SMILES notation for piperazin-2-ylmethyl pyrrolidine-1-carboxylate?
The canonical SMILES for piperazin-2-ylmethyl pyrrolidine-1-carboxylate is O=C(OCC1CNCCN1)N1CCCC1.
What is the InChIKey of piperazin-2-ylmethyl pyrrolidine-1-carboxylate?
The InChIKey is GXHFTSQMFRDVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c14-10(13-5-1-2-6-13)15-8-9-7-11-3-4-12-9/h9,11-12H,1-8H2.
What are the key properties of piperazin-2-ylmethyl pyrrolidine-1-carboxylate?
piperazin-2-ylmethyl pyrrolidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-ylmethyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 10850748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).