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

C14H25F3N2O — CID 64839132

IUPAC2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC1(C)CN(CCCOCC(F)(F)F)C(C2CC2)CN1
InChIInChI=1S/C14H25F3N2O/c1-13(2)9-19(12(8-18-13)11-4-5-11)6-3-7-20-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyCCGUCRDMMMCAAQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds6

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

2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 64839132) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID64839132
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC1(C)CN(CCCOCC(F)(F)F)C(C2CC2)CN1
InChIInChI=1S/C14H25F3N2O/c1-13(2)9-19(12(8-18-13)11-4-5-11)6-3-7-20-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyCCGUCRDMMMCAAQ-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.42
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-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of 2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 64839132) is 2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for 2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is CC1(C)CN(CCCOCC(F)(F)F)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is CCGUCRDMMMCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-13(2)9-19(12(8-18-13)11-4-5-11)6-3-7-20-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 294.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 64839132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).