5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine

C14H25F3N2 — CID 64847885

IUPAC5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC(C)C1CN(CC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C14H25F3N2/c1-4-10(2)12-7-19(9-14(15,16)17)13(3,8-18-12)11-5-6-11/h10-12,18H,4-9H2,1-3H3
InChIKeyIWSRTGGLIBOMGZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds4

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

5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64847885) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64847885
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC(C)C1CN(CC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C14H25F3N2/c1-4-10(2)12-7-19(9-14(15,16)17)13(3,8-18-12)11-5-6-11/h10-12,18H,4-9H2,1-3H3
InChIKeyIWSRTGGLIBOMGZ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839279
5-butan-2-yl-2-cyclopropyl-1-ethyl-2-methylpiperazine
CID 64849041
5-butan-2-yl-2-cyclopropyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64849427
5-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)-2-methylpiperazine
CID 64848079
2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64837904
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
1-butyl-2-cyclopropyl-2-methyl-5-propan-2-ylpiperazine
CID 64838885
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
5-butan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64847845
5-butan-2-yl-1-(cyclopropylmethyl)-2-ethyl-2-methylpiperazine
CID 64849416
2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64843995

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64847885) is 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine is CCC(C)C1CN(CC(F)(F)F)C(C)(C2CC2)CN1.
What is the InChIKey of 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is IWSRTGGLIBOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-4-10(2)12-7-19(9-14(15,16)17)13(3,8-18-12)11-5-6-11/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine?
5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64847885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).