1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol

C12H24F3N3O — CID 64820954

IUPAC1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
SMILESCC(O)(CN)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O/c1-11(19,9-16)3-2-4-17-5-7-18(8-6-17)10-12(13,14)15/h19H,2-10,16H2,1H3
InChIKeyDIEPPJBZEOXBHE-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.66
Rot. Bonds6

About 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol

1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol (PubChem CID 64820954) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
PubChem CID64820954
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
SMILESCC(O)(CN)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O/c1-11(19,9-16)3-2-4-17-5-7-18(8-6-17)10-12(13,14)15/h19H,2-10,16H2,1H3
InChIKeyDIEPPJBZEOXBHE-UHFFFAOYSA-N
XLogP0.66
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.66
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-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol (CID 64820954) is 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol is CC(O)(CN)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The InChIKey is DIEPPJBZEOXBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-11(19,9-16)3-2-4-17-5-7-18(8-6-17)10-12(13,14)15/h19H,2-10,16H2,1H3.
What are the key properties of 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol has a molecular weight of 283.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol is sourced from PubChem (CID 64820954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).