4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine

C12H21F3N2 — CID 129028869

IUPAC4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine
SMILESC=C(CCCC)N1CCN(C)C(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-4-5-6-10(2)17-8-7-16(3)11(9-17)12(13,14)15/h11H,2,4-9H2,1,3H3
InChIKeySHVANHQDYSLRPB-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.87
Rot. Bonds4

About 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine

4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine (PubChem CID 129028869) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine
PubChem CID129028869
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine
SMILESC=C(CCCC)N1CCN(C)C(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-4-5-6-10(2)17-8-7-16(3)11(9-17)12(13,14)15/h11H,2,4-9H2,1,3H3
InChIKeySHVANHQDYSLRPB-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine?
The IUPAC name of 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine (CID 129028869) is 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine is C=C(CCCC)N1CCN(C)C(C(F)(F)F)C1.
What is the InChIKey of 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine?
The InChIKey is SHVANHQDYSLRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-4-5-6-10(2)17-8-7-16(3)11(9-17)12(13,14)15/h11H,2,4-9H2,1,3H3.
What are the key properties of 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine?
4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine has a molecular weight of 250.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 129028869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).