1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine

C12H23F3N4 — CID 115101352

IUPAC1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine
SMILESCN1CCN(CCN2CCNCC2C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4/c1-17-4-6-18(7-5-17)8-9-19-3-2-16-10-11(19)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyQXCVVROCNXYJEO-UHFFFAOYSA-N
MW280.34 g/mol
LogP0.07
Rot. Bonds3

About 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine

1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine (PubChem CID 115101352) has the molecular formula C12H23F3N4 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine
PubChem CID115101352
Molecular FormulaC12H23F3N4
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC Name1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine
SMILESCN1CCN(CCN2CCNCC2C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4/c1-17-4-6-18(7-5-17)8-9-19-3-2-16-10-11(19)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyQXCVVROCNXYJEO-UHFFFAOYSA-N
XLogP0.07
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine
CID 115101353
1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
CID 82892035
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
CID 115101253
2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol
CID 115101625
N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide
CID 82892255
3-[[2-(trifluoromethyl)piperazin-1-yl]methyl]thiolane 1,1-dioxide
CID 115101257
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
(2R)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82761100
(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82755408
1-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)-1,4-diazepane
CID 115101680
ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 145006572
6-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]-1,4-diazepan-5-one
CID 115100401

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine (CID 115101352) is 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine is CN1CCN(CCN2CCNCC2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine?
The InChIKey is QXCVVROCNXYJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4/c1-17-4-6-18(7-5-17)8-9-19-3-2-16-10-11(19)12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine?
1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine has a molecular weight of 280.34 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine is sourced from PubChem (CID 115101352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).