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

Analyze 5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64848014
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
CID 64849755
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
5-benzyl-1-butyl-2,2-diethylpiperazine
CID 64850140
3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
CID 64848789
1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
CID 82248413
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984
5-benzyl-2,2-diethyl-1-(2-methoxyethyl)piperazine
CID 64847634
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297

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).