5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine

C17H25FN2 — CID 64947817

IUPAC5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
SMILESCCC1CNC(C2CC2)CN1C(C)c1cccc(F)c1
InChIInChI=1S/C17H25FN2/c1-3-16-10-19-17(13-7-8-13)11-20(16)12(2)14-5-4-6-15(18)9-14/h4-6,9,12-13,16-17,19H,3,7-8,10-11H2,1-2H3
InChIKeyBSONEDAPZNQCGA-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine

5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine (PubChem CID 64947817) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
PubChem CID64947817
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
SMILESCCC1CNC(C2CC2)CN1C(C)c1cccc(F)c1
InChIInChI=1S/C17H25FN2/c1-3-16-10-19-17(13-7-8-13)11-20(16)12(2)14-5-4-6-15(18)9-14/h4-6,9,12-13,16-17,19H,3,7-8,10-11H2,1-2H3
InChIKeyBSONEDAPZNQCGA-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 66244508
5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
CID 64940977
2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine
CID 114872128
5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
CID 64933251
1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine
CID 64946271
3-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzonitrile
CID 64978138
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562
3-ethyl-2-[1-(3-fluorophenyl)ethyl]-3,4-dihydropyrazole
CID 167866875
5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine (CID 64947817) is 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine is CCC1CNC(C2CC2)CN1C(C)c1cccc(F)c1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine?
The InChIKey is BSONEDAPZNQCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-3-16-10-19-17(13-7-8-13)11-20(16)12(2)14-5-4-6-15(18)9-14/h4-6,9,12-13,16-17,19H,3,7-8,10-11H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine?
5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine has a molecular weight of 276.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 64947817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).