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

C13H23F3N2 — CID 64876752

IUPAC5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1(C2CC2)CN(CCC(F)(F)F)C(C)(C)CN1
InChIInChI=1S/C13H23F3N2/c1-11(2)8-17-12(3,10-4-5-10)9-18(11)7-6-13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyAWGHIIKATBNWDX-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds3

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

5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64876752) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64876752
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1(C2CC2)CN(CCC(F)(F)F)C(C)(C)CN1
InChIInChI=1S/C13H23F3N2/c1-11(2)8-17-12(3,10-4-5-10)9-18(11)7-6-13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyAWGHIIKATBNWDX-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64876752) is 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine is CC1(C2CC2)CN(CCC(F)(F)F)C(C)(C)CN1.
What is the InChIKey of 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is AWGHIIKATBNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-11(2)8-17-12(3,10-4-5-10)9-18(11)7-6-13(14,15)16/h10,17H,4-9H2,1-3H3.
What are the key properties of 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine?
5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,2,5-trimethyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64876752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).