benzyl piperazine-1-carboxylate

C12H16N2O2 — CID 643495

IUPACbenzyl piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyCTOUWUYDDUSBQE-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.23
Rot. Bonds2

About benzyl piperazine-1-carboxylate

benzyl piperazine-1-carboxylate (PubChem CID 643495) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is benzyl piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl piperazine-1-carboxylate
PubChem CID643495
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namebenzyl piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyCTOUWUYDDUSBQE-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl piperazine-1-carboxylate?
The IUPAC name of benzyl piperazine-1-carboxylate (CID 643495) is benzyl piperazine-1-carboxylate.
What is the SMILES notation for benzyl piperazine-1-carboxylate?
The canonical SMILES for benzyl piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCNCC1.
What is the InChIKey of benzyl piperazine-1-carboxylate?
The InChIKey is CTOUWUYDDUSBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2.
What are the key properties of benzyl piperazine-1-carboxylate?
benzyl piperazine-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl piperazine-1-carboxylate is sourced from PubChem (CID 643495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).