2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine

C14H25F3N2 — CID 115518869

IUPAC2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCC1(C)CN(CCCC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C14H25F3N2/c1-12(2)10-19(8-4-7-14(15,16)17)13(3,9-18-12)11-5-6-11/h11,18H,4-10H2,1-3H3
InChIKeyZNGIANGZRZOUOX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds4

About 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine

2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine (PubChem CID 115518869) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine
PubChem CID115518869
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCC1(C)CN(CCCC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C14H25F3N2/c1-12(2)10-19(8-4-7-14(15,16)17)13(3,9-18-12)11-5-6-11/h11,18H,4-10H2,1-3H3
InChIKeyZNGIANGZRZOUOX-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(2-methoxyethyl)-2,5,5-trimethylpiperazine
CID 64841123
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-2,5-dimethylpiperazine
CID 81114433
2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64843995
2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106732968
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 105409991
5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876752
2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64842290
2-cyclopropyl-5,5-diethyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 115943677
2,5-dicyclopropyl-1-ethyl-2,5-dimethylpiperazine
CID 64859833
3,3-dimethyl-1-(4,4,4-trifluorobutyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 115519184
2-cyclopropyl-2,5,5-trimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840931
2-cyclopropyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839279

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine?
The IUPAC name of 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine (CID 115518869) is 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine?
The canonical SMILES for 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine is CC1(C)CN(CCCC(F)(F)F)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine?
The InChIKey is ZNGIANGZRZOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-12(2)10-19(8-4-7-14(15,16)17)13(3,9-18-12)11-5-6-11/h11,18H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine?
2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine is sourced from PubChem (CID 115518869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).