5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine

C17H27FN2 — CID 64934070

IUPAC5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
SMILESCCC1CN(CCc2cccc(F)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27FN2/c1-4-16-12-20(17(11-19-16)13(2)3)9-8-14-6-5-7-15(18)10-14/h5-7,10,13,16-17,19H,4,8-9,11-12H2,1-3H3
InChIKeyCEVJTNGCRZTBOS-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.08
Rot. Bonds5

About 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine

5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 64934070) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
PubChem CID64934070
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
SMILESCCC1CN(CCc2cccc(F)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27FN2/c1-4-16-12-20(17(11-19-16)13(2)3)9-8-14-6-5-7-15(18)10-14/h5-7,10,13,16-17,19H,4,8-9,11-12H2,1-3H3
InChIKeyCEVJTNGCRZTBOS-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine (CID 64934070) is 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine is CCC1CN(CCc2cccc(F)c2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is CEVJTNGCRZTBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-16-12-20(17(11-19-16)13(2)3)9-8-14-6-5-7-15(18)10-14/h5-7,10,13,16-17,19H,4,8-9,11-12H2,1-3H3.
What are the key properties of 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine?
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 278.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64934070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).