piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride

C10H20ClN3O2 — CID 18623803

IUPACpiperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CNCCN1)N1CCCC1
InChIInChI=1S/C10H19N3O2.ClH/c14-10(13-5-1-2-6-13)15-8-9-7-11-3-4-12-9;/h9,11-12H,1-8H2;1H
InChIKeyJKYIVTWWXAYALP-UHFFFAOYSA-N
MW249.74 g/mol
LogP0.20
Rot. Bonds2

About piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride

piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride (PubChem CID 18623803) has the molecular formula C10H20ClN3O2 and a molecular weight of 249.74 g/mol. Its IUPAC name is piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namepiperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride
PubChem CID18623803
Molecular FormulaC10H20ClN3O2
Molecular Weight249.74 g/mol
Exact Mass249.12
IUPAC Namepiperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CNCCN1)N1CCCC1
InChIInChI=1S/C10H19N3O2.ClH/c14-10(13-5-1-2-6-13)15-8-9-7-11-3-4-12-9;/h9,11-12H,1-8H2;1H
InChIKeyJKYIVTWWXAYALP-UHFFFAOYSA-N
XLogP0.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 50.20
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;hydrochloride?
The IUPAC name of piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride (CID 18623803) is piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride.
What is the SMILES notation for piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride?
The canonical SMILES for piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride is Cl.O=C(OCC1CNCCN1)N1CCCC1.
What is the InChIKey of piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride?
The InChIKey is JKYIVTWWXAYALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.ClH/c14-10(13-5-1-2-6-13)15-8-9-7-11-3-4-12-9;/h9,11-12H,1-8H2;1H.
What are the key properties of piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride?
piperazin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 0.20, 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;hydrochloride is sourced from PubChem (CID 18623803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).