3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

C13H23F3N2O — CID 64831509

IUPAC3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC1(C2CC2)CN(CCCOCC(F)(F)F)CCN1
InChIInChI=1S/C13H23F3N2O/c1-12(11-3-4-11)9-18(7-5-17-12)6-2-8-19-10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyJSIPTECXGGDGGY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds6

About 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 64831509) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID64831509
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC1(C2CC2)CN(CCCOCC(F)(F)F)CCN1
InChIInChI=1S/C13H23F3N2O/c1-12(11-3-4-11)9-18(7-5-17-12)6-2-8-19-10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyJSIPTECXGGDGGY-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 64831509) is 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is CC1(C2CC2)CN(CCCOCC(F)(F)F)CCN1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is JSIPTECXGGDGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-12(11-3-4-11)9-18(7-5-17-12)6-2-8-19-10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 64831509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).