1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine

C10H21FN2 — CID 80695147

IUPAC1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CCF)CCN1
InChIInChI=1S/C10H21FN2/c1-9(2)7-10-8-13(5-3-11)6-4-12-10/h9-10,12H,3-8H2,1-2H3
InChIKeyMJBCGGNKZHQWDI-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.28
Rot. Bonds4

About 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine

1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine (PubChem CID 80695147) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
PubChem CID80695147
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CCF)CCN1
InChIInChI=1S/C10H21FN2/c1-9(2)7-10-8-13(5-3-11)6-4-12-10/h9-10,12H,3-8H2,1-2H3
InChIKeyMJBCGGNKZHQWDI-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine (CID 80695147) is 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine is CC(C)CC1CN(CCF)CCN1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine?
The InChIKey is MJBCGGNKZHQWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-9(2)7-10-8-13(5-3-11)6-4-12-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine?
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine has a molecular weight of 188.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 80695147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).