2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine

C17H27FN2 — CID 114872128

IUPAC2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine
SMILESCCC1CN(C(CC)c2cccc(F)c2)C(CC)CN1
InChIInChI=1S/C17H27FN2/c1-4-15-12-20(16(5-2)11-19-15)17(6-3)13-8-7-9-14(18)10-13/h7-10,15-17,19H,4-6,11-12H2,1-3H3
InChIKeyRQQHTKFNIRWCMO-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.74
Rot. Bonds5

About 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine

2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine (PubChem CID 114872128) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine
PubChem CID114872128
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine
SMILESCCC1CN(C(CC)c2cccc(F)c2)C(CC)CN1
InChIInChI=1S/C17H27FN2/c1-4-15-12-20(16(5-2)11-19-15)17(6-3)13-8-7-9-14(18)10-13/h7-10,15-17,19H,4-6,11-12H2,1-3H3
InChIKeyRQQHTKFNIRWCMO-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
CID 64947817
1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine
CID 114872104
2,5-diethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 64978319
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
CID 103440552
1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine
CID 114872144
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 64977794
1-[1-(3-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945730
2,5-diethyl-1-(2-phenylpropyl)piperazine
CID 64977923
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64934070
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081
2-(2,5-diethylpiperazin-1-yl)-1-phenylethanol
CID 64979297

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine?
The IUPAC name of 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine (CID 114872128) is 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine is CCC1CN(C(CC)c2cccc(F)c2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine?
The InChIKey is RQQHTKFNIRWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-15-12-20(16(5-2)11-19-15)17(6-3)13-8-7-9-14(18)10-13/h7-10,15-17,19H,4-6,11-12H2,1-3H3.
What are the key properties of 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine?
2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine has a molecular weight of 278.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[1-(3-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 114872128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).