ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine

C12H25F3N2 — CID 168904282

IUPACethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC.CC(C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2.C2H6/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyFRRHXYFYURPMMP-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.85
Rot. Bonds3

About ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine

ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 168904282) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Nameethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID168904282
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC Nameethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC.CC(C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2.C2H6/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyFRRHXYFYURPMMP-UHFFFAOYSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 43252914
1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 66223203
1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 63900205
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
CID 62575111
2-(propan-2-ylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62967934
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol
CID 64788004
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
CID 55141166
1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 155207572
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
CID 55140389

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 168904282) is ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine is CC.CC(C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is FRRHXYFYURPMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2.C2H6/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine?
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 254.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 168904282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).