2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine

C16H25FN2 — CID 80696442

IUPAC2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine
SMILESCCC1(C)CNC(C)(c2ccccc2)CN1CCF
InChIInChI=1S/C16H25FN2/c1-4-15(2)12-18-16(3,13-19(15)11-10-17)14-8-6-5-7-9-14/h5-9,18H,4,10-13H2,1-3H3
InChIKeyDRUIFQFFBSMVHD-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.95
Rot. Bonds4

About 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine

2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine (PubChem CID 80696442) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine
PubChem CID80696442
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine
SMILESCCC1(C)CNC(C)(c2ccccc2)CN1CCF
InChIInChI=1S/C16H25FN2/c1-4-15(2)12-18-16(3,13-19(15)11-10-17)14-8-6-5-7-9-14/h5-9,18H,4,10-13H2,1-3H3
InChIKeyDRUIFQFFBSMVHD-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine?
The IUPAC name of 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine (CID 80696442) is 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine.
What is the SMILES notation for 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine?
The canonical SMILES for 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine is CCC1(C)CNC(C)(c2ccccc2)CN1CCF.
What is the InChIKey of 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine?
The InChIKey is DRUIFQFFBSMVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-15(2)12-18-16(3,13-19(15)11-10-17)14-8-6-5-7-9-14/h5-9,18H,4,10-13H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine?
2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoroethyl)-2,5-dimethyl-5-phenylpiperazine is sourced from PubChem (CID 80696442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).