5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine

C16H21F3N2 — CID 64860166

IUPAC5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(c2ccccc2)CNC(C2CC2)CN1CC(F)(F)F
InChIInChI=1S/C16H21F3N2/c1-15(13-5-3-2-4-6-13)10-20-14(12-7-8-12)9-21(15)11-16(17,18)19/h2-6,12,14,20H,7-11H2,1H3
InChIKeyVMFKVRHCNSFHPJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.15
Rot. Bonds3

About 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine

5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64860166) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64860166
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(c2ccccc2)CNC(C2CC2)CN1CC(F)(F)F
InChIInChI=1S/C16H21F3N2/c1-15(13-5-3-2-4-6-13)10-20-14(12-7-8-12)9-21(15)11-16(17,18)19/h2-6,12,14,20H,7-11H2,1H3
InChIKeyVMFKVRHCNSFHPJ-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64845157
5-cyclohexyl-1-ethyl-2-methyl-2-phenylpiperazine
CID 64861916
2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518790
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
CID 81113703
1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine
CID 64845546
2,5-dimethyl-1-(2-methylpropyl)-2-phenylpiperazine
CID 64843969
1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine
CID 80697269
1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine
CID 64846932
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914
2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine
CID 64844166
1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine
CID 104650161

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64860166) is 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine is CC1(c2ccccc2)CNC(C2CC2)CN1CC(F)(F)F.
What is the InChIKey of 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is VMFKVRHCNSFHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-15(13-5-3-2-4-6-13)10-20-14(12-7-8-12)9-21(15)11-16(17,18)19/h2-6,12,14,20H,7-11H2,1H3.
What are the key properties of 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine?
5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 298.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64860166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).