2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine

C12H21F3N2 — CID 64843995

IUPAC2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1CN(CCC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C12H21F3N2/c1-9-7-17(6-5-12(13,14)15)11(2,8-16-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3
InChIKeyQIRLVFRVWGTZEH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds3

About 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine

2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64843995) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64843995
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1CN(CCC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C12H21F3N2/c1-9-7-17(6-5-12(13,14)15)11(2,8-16-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3
InChIKeyQIRLVFRVWGTZEH-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64843995) is 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine is CC1CN(CCC(F)(F)F)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is QIRLVFRVWGTZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-9-7-17(6-5-12(13,14)15)11(2,8-16-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine?
2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64843995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).