1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine

C11H21F3N2 — CID 59520016

IUPAC1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
SMILESCC(C)(C)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-10(2,3)16-8-6-15(7-9-16)5-4-11(12,13)14/h4-9H2,1-3H3
InChIKeyWRUUBCICUDMRJB-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.35
Rot. Bonds2

About 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine

1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine (PubChem CID 59520016) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
PubChem CID59520016
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
SMILESCC(C)(C)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-10(2,3)16-8-6-15(7-9-16)5-4-11(12,13)14/h4-9H2,1-3H3
InChIKeyWRUUBCICUDMRJB-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 145006572
1-tert-butyl-4-propylpiperazine
CID 58721754
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
1-tert-butyl-4-(fluoromethyl)piperazine
CID 171581155
1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 135299487
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64827179
4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 122664538
2-[(2-methylpropan-2-yl)oxy]-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]ethanone
CID 90142571
3,3-dimethyl-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]butan-1-one
CID 90142666
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
CID 64680572
4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide
CID 167004574

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine (CID 59520016) is 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine is CC(C)(C)N1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is WRUUBCICUDMRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-10(2,3)16-8-6-15(7-9-16)5-4-11(12,13)14/h4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine?
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 238.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 59520016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).