2-fluoroethyl 4-methylpiperazine-1-carboxylate

C8H15FN2O2 — CID 90327680

IUPAC2-fluoroethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCCF)CC1
InChIInChI=1S/C8H15FN2O2/c1-10-3-5-11(6-4-10)8(12)13-7-2-9/h2-7H2,1H3
InChIKeyXBHIAVTZSWAIDX-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.34
Rot. Bonds2

About 2-fluoroethyl 4-methylpiperazine-1-carboxylate

2-fluoroethyl 4-methylpiperazine-1-carboxylate (PubChem CID 90327680) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-fluoroethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-methylpiperazine-1-carboxylate
PubChem CID90327680
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name2-fluoroethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCCF)CC1
InChIInChI=1S/C8H15FN2O2/c1-10-3-5-11(6-4-10)8(12)13-7-2-9/h2-7H2,1H3
InChIKeyXBHIAVTZSWAIDX-UHFFFAOYSA-N
XLogP0.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 4-methylpiperazine-1-carboxylate (CID 90327680) is 2-fluoroethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OCCF)CC1.
What is the InChIKey of 2-fluoroethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is XBHIAVTZSWAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-10-3-5-11(6-4-10)8(12)13-7-2-9/h2-7H2,1H3.
What are the key properties of 2-fluoroethyl 4-methylpiperazine-1-carboxylate?
2-fluoroethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 190.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 90327680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).