1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine

C15H30F2N2 — CID 58055843

IUPAC1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine
SMILESCC(C)(C)N1CCN(CCC(F)(F)C(C)(C)C)CC1
InChIInChI=1S/C15H30F2N2/c1-13(2,3)15(16,17)7-8-18-9-11-19(12-10-18)14(4,5)6/h7-12H2,1-6H3
InChIKeyUFJHNJJUBBJCHI-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.47
Rot. Bonds3

About 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine

1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine (PubChem CID 58055843) has the molecular formula C15H30F2N2 and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine
PubChem CID58055843
Molecular FormulaC15H30F2N2
Molecular Weight276.41 g/mol
Exact Mass276.24
IUPAC Name1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine
SMILESCC(C)(C)N1CCN(CCC(F)(F)C(C)(C)C)CC1
InChIInChI=1S/C15H30F2N2/c1-13(2,3)15(16,17)7-8-18-9-11-19(12-10-18)14(4,5)6/h7-12H2,1-6H3
InChIKeyUFJHNJJUBBJCHI-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine (CID 58055843) is 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine is CC(C)(C)N1CCN(CCC(F)(F)C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine?
The InChIKey is UFJHNJJUBBJCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2/c1-13(2,3)15(16,17)7-8-18-9-11-19(12-10-18)14(4,5)6/h7-12H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine?
1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine has a molecular weight of 276.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-difluoro-4,4-dimethylpentyl)piperazine is sourced from PubChem (CID 58055843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).