1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol

C11H22F3N3O — CID 64820735

IUPAC1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol
SMILESCC(O)(CN)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-10(18,8-15)2-3-16-4-6-17(7-5-16)9-11(12,13)14/h18H,2-9,15H2,1H3
InChIKeyJYXOUDOUYRAQJF-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.27
Rot. Bonds5

About 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol

1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol (PubChem CID 64820735) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol
PubChem CID64820735
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol
SMILESCC(O)(CN)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-10(18,8-15)2-3-16-4-6-17(7-5-16)9-11(12,13)14/h18H,2-9,15H2,1H3
InChIKeyJYXOUDOUYRAQJF-UHFFFAOYSA-N
XLogP0.27
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol (CID 64820735) is 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol is CC(O)(CN)CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol?
The InChIKey is JYXOUDOUYRAQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-10(18,8-15)2-3-16-4-6-17(7-5-16)9-11(12,13)14/h18H,2-9,15H2,1H3.
What are the key properties of 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol?
1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 64820735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).