2-cyclopentylethyl piperazine-1-carboxylate

C12H22N2O2 — CID 147823585

IUPAC2-cyclopentylethyl piperazine-1-carboxylate
SMILESO=C(OCCC1CCCC1)N1CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-8-6-13-7-9-14)16-10-5-11-3-1-2-4-11/h11,13H,1-10H2
InChIKeyHPRZCUGSRIQZES-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds3

About 2-cyclopentylethyl piperazine-1-carboxylate

2-cyclopentylethyl piperazine-1-carboxylate (PubChem CID 147823585) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclopentylethyl piperazine-1-carboxylate.

Molecular Properties

Compound Name2-cyclopentylethyl piperazine-1-carboxylate
PubChem CID147823585
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-cyclopentylethyl piperazine-1-carboxylate
SMILESO=C(OCCC1CCCC1)N1CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-8-6-13-7-9-14)16-10-5-11-3-1-2-4-11/h11,13H,1-10H2
InChIKeyHPRZCUGSRIQZES-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylethyl piperazine-1-carboxylate?
The IUPAC name of 2-cyclopentylethyl piperazine-1-carboxylate (CID 147823585) is 2-cyclopentylethyl piperazine-1-carboxylate.
What is the SMILES notation for 2-cyclopentylethyl piperazine-1-carboxylate?
The canonical SMILES for 2-cyclopentylethyl piperazine-1-carboxylate is O=C(OCCC1CCCC1)N1CCNCC1.
What is the InChIKey of 2-cyclopentylethyl piperazine-1-carboxylate?
The InChIKey is HPRZCUGSRIQZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(14-8-6-13-7-9-14)16-10-5-11-3-1-2-4-11/h11,13H,1-10H2.
What are the key properties of 2-cyclopentylethyl piperazine-1-carboxylate?
2-cyclopentylethyl piperazine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylethyl piperazine-1-carboxylate is sourced from PubChem (CID 147823585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).