2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine

C15H29F3N2 — CID 64860446

IUPAC2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC1(CC)CN(CCC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C15H29F3N2/c1-6-14(7-2)11-20(9-8-15(16,17)18)12(10-19-14)13(3,4)5/h12,19H,6-11H2,1-5H3
InChIKeyVRLOMDRWMBQUNK-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.82
Rot. Bonds4

About 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine

2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64860446) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64860446
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC1(CC)CN(CCC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C15H29F3N2/c1-6-14(7-2)11-20(9-8-15(16,17)18)12(10-19-14)13(3,4)5/h12,19H,6-11H2,1-5H3
InChIKeyVRLOMDRWMBQUNK-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64860446) is 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine is CCC1(CC)CN(CCC(F)(F)F)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is VRLOMDRWMBQUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-6-14(7-2)11-20(9-8-15(16,17)18)12(10-19-14)13(3,4)5/h12,19H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine?
2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 294.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-diethyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64860446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).