2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate

C11H21FN2O2 — CID 87549144

IUPAC2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C11H21FN2O2/c1-10(2)9-16-11(15)14-7-5-13(4-3-12)6-8-14/h10H,3-9H2,1-2H3
InChIKeySEIFVBHQMMZBDK-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.37
Rot. Bonds4

About 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate

2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate (PubChem CID 87549144) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate
PubChem CID87549144
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C11H21FN2O2/c1-10(2)9-16-11(15)14-7-5-13(4-3-12)6-8-14/h10H,3-9H2,1-2H3
InChIKeySEIFVBHQMMZBDK-UHFFFAOYSA-N
XLogP1.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate (CID 87549144) is 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(CCF)CC1.
What is the InChIKey of 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate?
The InChIKey is SEIFVBHQMMZBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-10(2)9-16-11(15)14-7-5-13(4-3-12)6-8-14/h10H,3-9H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate?
2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(2-fluoroethyl)piperazine-1-carboxylate is sourced from PubChem (CID 87549144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).