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

C10H20F3N3O — CID 64792292

IUPAC2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESNC(CO)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O/c11-10(12,13)8-16-5-3-15(4-6-16)2-1-9(14)7-17/h9,17H,1-8,14H2
InChIKeyLVYLMISOXNTVPQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.12
Rot. Bonds5

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

2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (PubChem CID 64792292) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
PubChem CID64792292
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESNC(CO)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O/c11-10(12,13)8-16-5-3-15(4-6-16)2-1-9(14)7-17/h9,17H,1-8,14H2
InChIKeyLVYLMISOXNTVPQ-UHFFFAOYSA-N
XLogP-0.12
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (CID 64792292) is 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is NC(CO)CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is LVYLMISOXNTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c11-10(12,13)8-16-5-3-15(4-6-16)2-1-9(14)7-17/h9,17H,1-8,14H2.
What are the key properties of 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol has a molecular weight of 255.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 64792292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).