2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine

C12H24F3N3 — CID 62968805

IUPAC2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine
SMILESCCCC(C)(N)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-3-4-11(2,16)9-17-5-7-18(8-6-17)10-12(13,14)15/h3-10,16H2,1-2H3
InChIKeyCTZUTHLDSCFDAS-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.68
Rot. Bonds5

About 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine

2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine (PubChem CID 62968805) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine
PubChem CID62968805
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine
SMILESCCCC(C)(N)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-3-4-11(2,16)9-17-5-7-18(8-6-17)10-12(13,14)15/h3-10,16H2,1-2H3
InChIKeyCTZUTHLDSCFDAS-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine?
The IUPAC name of 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine (CID 62968805) is 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine?
The canonical SMILES for 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine is CCCC(C)(N)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine?
The InChIKey is CTZUTHLDSCFDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-3-4-11(2,16)9-17-5-7-18(8-6-17)10-12(13,14)15/h3-10,16H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine?
2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine is sourced from PubChem (CID 62968805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).