benzyl 4-ethylpiperazine-1-carboxylate

C14H20N2O2 — CID 54368838

IUPACbenzyl 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-15-8-10-16(11-9-15)14(17)18-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyBQNXAIHRGSDYKA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds3

About benzyl 4-ethylpiperazine-1-carboxylate

benzyl 4-ethylpiperazine-1-carboxylate (PubChem CID 54368838) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl 4-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-ethylpiperazine-1-carboxylate
PubChem CID54368838
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-15-8-10-16(11-9-15)14(17)18-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyBQNXAIHRGSDYKA-UHFFFAOYSA-N
XLogP1.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-ethylpiperazine-1-carboxylate?
The IUPAC name of benzyl 4-ethylpiperazine-1-carboxylate (CID 54368838) is benzyl 4-ethylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-ethylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-ethylpiperazine-1-carboxylate is CCN1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-ethylpiperazine-1-carboxylate?
The InChIKey is BQNXAIHRGSDYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-15-8-10-16(11-9-15)14(17)18-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of benzyl 4-ethylpiperazine-1-carboxylate?
benzyl 4-ethylpiperazine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 54368838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).