3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine

C16H25FN2 — CID 64926173

IUPAC3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine
SMILESCCC1(CC)CN(CCc2ccc(F)cc2)CCN1
InChIInChI=1S/C16H25FN2/c1-3-16(4-2)13-19(12-10-18-16)11-9-14-5-7-15(17)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyVYSFRUODPFEVQE-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.83
Rot. Bonds5

About 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine

3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine (PubChem CID 64926173) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine
PubChem CID64926173
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine
SMILESCCC1(CC)CN(CCc2ccc(F)cc2)CCN1
InChIInChI=1S/C16H25FN2/c1-3-16(4-2)13-19(12-10-18-16)11-9-14-5-7-15(17)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyVYSFRUODPFEVQE-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.83
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-[2-(4-fluorophenyl)ethyl]piperazine?
The IUPAC name of 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine (CID 64926173) is 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine is CCC1(CC)CN(CCc2ccc(F)cc2)CCN1.
What is the InChIKey of 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine?
The InChIKey is VYSFRUODPFEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(4-2)13-19(12-10-18-16)11-9-14-5-7-15(17)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3.
What are the key properties of 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine?
3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine has a molecular weight of 264.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 64926173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).