2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

C15H27F3N2O — CID 64840018

IUPAC2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC(C)C1CN(CCCOCC(F)(F)F)C(C2CC2)CN1
InChIInChI=1S/C15H27F3N2O/c1-11(2)13-9-20(14(8-19-13)12-4-5-12)6-3-7-21-10-15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyTWCNZZBZZRCHES-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.66
Rot. Bonds7

About 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 64840018) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID64840018
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC(C)C1CN(CCCOCC(F)(F)F)C(C2CC2)CN1
InChIInChI=1S/C15H27F3N2O/c1-11(2)13-9-20(14(8-19-13)12-4-5-12)6-3-7-21-10-15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyTWCNZZBZZRCHES-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.66
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 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 64840018) is 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is CC(C)C1CN(CCCOCC(F)(F)F)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is TWCNZZBZZRCHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-11(2)13-9-20(14(8-19-13)12-4-5-12)6-3-7-21-10-15(16,17)18/h11-14,19H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 308.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 64840018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).