1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine

C15H22F2N2 — CID 64875923

IUPAC1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
SMILESCCCC1CNC(c2ccccc2)CN1CC(F)F
InChIInChI=1S/C15H22F2N2/c1-2-6-13-9-18-14(10-19(13)11-15(16)17)12-7-4-3-5-8-12/h3-5,7-8,13-15,18H,2,6,9-11H2,1H3
InChIKeyTTWOPGKPVYRXOY-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine

1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine (PubChem CID 64875923) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
PubChem CID64875923
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
SMILESCCCC1CNC(c2ccccc2)CN1CC(F)F
InChIInChI=1S/C15H22F2N2/c1-2-6-13-9-18-14(10-19(13)11-15(16)17)12-7-4-3-5-8-12/h3-5,7-8,13-15,18H,2,6,9-11H2,1H3
InChIKeyTTWOPGKPVYRXOY-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
CID 64877650
1-(2-methylpentyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64878230
2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
CID 64878424
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 64939440
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
1-(2-cyclopentylethyl)-2-ethyl-5-phenylpiperazine
CID 64935708
1-(cyclobutylmethyl)-2-ethyl-5-phenylpiperazine
CID 64933650
1-(3-fluoropropyl)-2-(2-methylpropyl)-5-phenylpiperazine
CID 81113963
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine (CID 64875923) is 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine is CCCC1CNC(c2ccccc2)CN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine?
The InChIKey is TTWOPGKPVYRXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-2-6-13-9-18-14(10-19(13)11-15(16)17)12-7-4-3-5-8-12/h3-5,7-8,13-15,18H,2,6,9-11H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine?
1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine is sourced from PubChem (CID 64875923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).