5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine

C14H21FN2 — CID 80698298

IUPAC5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCC1CNC(Cc2ccccc2)CN1CCF
InChIInChI=1S/C14H21FN2/c1-12-10-16-14(11-17(12)8-7-15)9-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3
InChIKeyFVPBBJUKGQMBJO-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.86
Rot. Bonds4

About 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine

5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine (PubChem CID 80698298) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
PubChem CID80698298
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCC1CNC(Cc2ccccc2)CN1CCF
InChIInChI=1S/C14H21FN2/c1-12-10-16-14(11-17(12)8-7-15)9-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3
InChIKeyFVPBBJUKGQMBJO-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine?
The IUPAC name of 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine (CID 80698298) is 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine.
What is the SMILES notation for 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine?
The canonical SMILES for 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine is CC1CNC(Cc2ccccc2)CN1CCF.
What is the InChIKey of 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine?
The InChIKey is FVPBBJUKGQMBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-12-10-16-14(11-17(12)8-7-15)9-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3.
What are the key properties of 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine?
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine is sourced from PubChem (CID 80698298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).