5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine

C15H23FN2 — CID 80697002

IUPAC5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNC(Cc2ccccc2)CN1CCF
InChIInChI=1S/C15H23FN2/c1-15(2)12-17-14(11-18(15)9-8-16)10-13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3
InChIKeyMNSULSVKLVTCIR-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.25
Rot. Bonds4

About 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine

5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine (PubChem CID 80697002) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
PubChem CID80697002
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNC(Cc2ccccc2)CN1CCF
InChIInChI=1S/C15H23FN2/c1-15(2)12-17-14(11-18(15)9-8-16)10-13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3
InChIKeyMNSULSVKLVTCIR-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine?
The IUPAC name of 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine (CID 80697002) is 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine?
The canonical SMILES for 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine is CC1(C)CNC(Cc2ccccc2)CN1CCF.
What is the InChIKey of 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine?
The InChIKey is MNSULSVKLVTCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2)12-17-14(11-18(15)9-8-16)10-13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3.
What are the key properties of 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine?
5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.25, 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)-2,2-dimethylpiperazine is sourced from PubChem (CID 80697002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).