5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine

C14H26F4N2 — CID 106294168

IUPAC5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1CC(F)(F)C(F)F
InChIInChI=1S/C14H26F4N2/c1-9(2)10-6-19-11(13(3,4)5)7-20(10)8-14(17,18)12(15)16/h9-12,19H,6-8H2,1-5H3
InChIKeyAYWDWENBRDLASN-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.23
Rot. Bonds4

About 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine

5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine (PubChem CID 106294168) has the molecular formula C14H26F4N2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
PubChem CID106294168
Molecular FormulaC14H26F4N2
Molecular Weight298.37 g/mol
Exact Mass298.20
IUPAC Name5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1CC(F)(F)C(F)F
InChIInChI=1S/C14H26F4N2/c1-9(2)10-6-19-11(13(3,4)5)7-20(10)8-14(17,18)12(15)16/h9-12,19H,6-8H2,1-5H3
InChIKeyAYWDWENBRDLASN-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
5-tert-butyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211932
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64845880
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
2-butan-2-yl-5-tert-butyl-1-(2-fluoroethyl)piperazine
CID 80697870
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 106376809

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine (CID 106294168) is 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine is CC(C)C1CNC(C(C)(C)C)CN1CC(F)(F)C(F)F.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The InChIKey is AYWDWENBRDLASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F4N2/c1-9(2)10-6-19-11(13(3,4)5)7-20(10)8-14(17,18)12(15)16/h9-12,19H,6-8H2,1-5H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine has a molecular weight of 298.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine is sourced from PubChem (CID 106294168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).