1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine

C17H33F3N2 — CID 135165076

IUPAC1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine
SMILESCC(C)(C)CC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C17H33F3N2/c1-15(2,3)13-14(17(18,19)20)7-8-21-9-11-22(12-10-21)16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyUZTBYOWVNDQKEY-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.41
Rot. Bonds4

About 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine

1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine (PubChem CID 135165076) has the molecular formula C17H33F3N2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine
PubChem CID135165076
Molecular FormulaC17H33F3N2
Molecular Weight322.46 g/mol
Exact Mass322.26
IUPAC Name1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine
SMILESCC(C)(C)CC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C17H33F3N2/c1-15(2,3)13-14(17(18,19)20)7-8-21-9-11-22(12-10-21)16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyUZTBYOWVNDQKEY-UHFFFAOYSA-N
XLogP4.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.41
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-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine (CID 135165076) is 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine is CC(C)(C)CC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F.
What is the InChIKey of 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine?
The InChIKey is UZTBYOWVNDQKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3N2/c1-15(2,3)13-14(17(18,19)20)7-8-21-9-11-22(12-10-21)16(4,5)6/h14H,7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine?
1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine has a molecular weight of 322.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[5,5-dimethyl-3-(trifluoromethyl)hexyl]piperazine is sourced from PubChem (CID 135165076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).