3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine

C15H21F3N2O — CID 174568705

IUPAC3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
SMILESCC1(C)CN(CCc2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C15H21F3N2O/c1-14(2)11-20(10-8-19-14)9-7-12-3-5-13(6-4-12)21-15(16,17)18/h3-6,19H,7-11H2,1-2H3
InChIKeyLTQOMFKOLJSTIV-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.81
Rot. Bonds4

About 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine

3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine (PubChem CID 174568705) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
PubChem CID174568705
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
SMILESCC1(C)CN(CCc2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C15H21F3N2O/c1-14(2)11-20(10-8-19-14)9-7-12-3-5-13(6-4-12)21-15(16,17)18/h3-6,19H,7-11H2,1-2H3
InChIKeyLTQOMFKOLJSTIV-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine?
The IUPAC name of 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine (CID 174568705) is 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine.
What is the SMILES notation for 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine?
The canonical SMILES for 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine is CC1(C)CN(CCc2ccc(OC(F)(F)F)cc2)CCN1.
What is the InChIKey of 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine?
The InChIKey is LTQOMFKOLJSTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-14(2)11-20(10-8-19-14)9-7-12-3-5-13(6-4-12)21-15(16,17)18/h3-6,19H,7-11H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine?
3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine has a molecular weight of 302.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine is sourced from PubChem (CID 174568705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).