2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine

C15H23FN2 — CID 80696999

IUPAC2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
SMILESCCC1CN(CCF)C(Cc2ccccc2)CN1
InChIInChI=1S/C15H23FN2/c1-2-14-12-18(9-8-16)15(11-17-14)10-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3
InChIKeyNWVXABWUTMSNAK-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.25
Rot. Bonds5

About 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine

2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine (PubChem CID 80696999) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Name2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
PubChem CID80696999
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
SMILESCCC1CN(CCF)C(Cc2ccccc2)CN1
InChIInChI=1S/C15H23FN2/c1-2-14-12-18(9-8-16)15(11-17-14)10-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3
InChIKeyNWVXABWUTMSNAK-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5-ethyl-1-pentylpiperazine
CID 64843710
2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
CID 64842547
2-benzyl-5-ethyl-1-methylpiperazine
CID 64843712
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64840995
1,2,5-tribenzylpiperazine
CID 64850137
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
2-benzyl-5-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250163
(5-benzyl-1-ethylpiperazin-2-yl)methanol
CID 82243258
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510
5-benzyl-1-(2-methoxyethyl)-2-propylpiperazine
CID 64848203

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine?
The IUPAC name of 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine (CID 80696999) is 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine.
What is the SMILES notation for 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine?
The canonical SMILES for 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine is CCC1CN(CCF)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine?
The InChIKey is NWVXABWUTMSNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-14-12-18(9-8-16)15(11-17-14)10-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3.
What are the key properties of 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine?
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine has a molecular weight of 250.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine is sourced from PubChem (CID 80696999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).