3,3-diethyl-1-(3-fluorophenyl)piperazine

C14H21FN2 — CID 64920188

IUPAC3,3-diethyl-1-(3-fluorophenyl)piperazine
SMILESCCC1(CC)CN(c2cccc(F)c2)CCN1
InChIInChI=1S/C14H21FN2/c1-3-14(4-2)11-17(9-8-16-14)13-7-5-6-12(15)10-13/h5-7,10,16H,3-4,8-9,11H2,1-2H3
InChIKeyYSVKBIKLLCFSTB-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.79
Rot. Bonds3

About 3,3-diethyl-1-(3-fluorophenyl)piperazine

3,3-diethyl-1-(3-fluorophenyl)piperazine (PubChem CID 64920188) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(3-fluorophenyl)piperazine
PubChem CID64920188
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3,3-diethyl-1-(3-fluorophenyl)piperazine
SMILESCCC1(CC)CN(c2cccc(F)c2)CCN1
InChIInChI=1S/C14H21FN2/c1-3-14(4-2)11-17(9-8-16-14)13-7-5-6-12(15)10-13/h5-7,10,16H,3-4,8-9,11H2,1-2H3
InChIKeyYSVKBIKLLCFSTB-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-fluorophenyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(3-fluorophenyl)piperazine (CID 64920188) is 3,3-diethyl-1-(3-fluorophenyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(3-fluorophenyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(3-fluorophenyl)piperazine is CCC1(CC)CN(c2cccc(F)c2)CCN1.
What is the InChIKey of 3,3-diethyl-1-(3-fluorophenyl)piperazine?
The InChIKey is YSVKBIKLLCFSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-14(4-2)11-17(9-8-16-14)13-7-5-6-12(15)10-13/h5-7,10,16H,3-4,8-9,11H2,1-2H3.
What are the key properties of 3,3-diethyl-1-(3-fluorophenyl)piperazine?
3,3-diethyl-1-(3-fluorophenyl)piperazine has a molecular weight of 236.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-fluorophenyl)piperazine is sourced from PubChem (CID 64920188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).