ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine

C10H21F3N2 — CID 145006572

IUPACethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
SMILESCC.CN1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2.C2H6/c1-12-4-6-13(7-5-12)3-2-8(9,10)11;1-2/h2-7H2,1H3;1-2H3
InChIKeyVBEXOOULCITEKA-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.21
Rot. Bonds2

About ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine

ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine (PubChem CID 145006572) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
PubChem CID145006572
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Nameethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
SMILESCC.CN1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2.C2H6/c1-12-4-6-13(7-5-12)3-2-8(9,10)11;1-2/h2-7H2,1H3;1-2H3
InChIKeyVBEXOOULCITEKA-UHFFFAOYSA-N
XLogP2.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
2,2-difluoro-8-(4-methylpiperazin-1-yl)octan-1-amine;ethane
CID 142386293
4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 122664538
3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
CID 144979676
3,3-dimethyl-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]butan-1-one
CID 90142666
(3aS,4R,7aS)-4-[(4-methylpiperazin-1-yl)methyl]-2-(3,3,3-trifluoropropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 97409932
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine (CID 145006572) is ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine is CC.CN1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is VBEXOOULCITEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.C2H6/c1-12-4-6-13(7-5-12)3-2-8(9,10)11;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine?
ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 226.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 145006572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).