2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol

C12H22F3N3O — CID 64790293

IUPAC2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESNC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)8-18-5-3-17(4-6-18)7-11(16,9-19)10-1-2-10/h10,19H,1-9,16H2
InChIKeyZNBIBVHBMJBGTK-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.27
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol

2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (PubChem CID 64790293) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
PubChem CID64790293
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESNC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)8-18-5-3-17(4-6-18)7-11(16,9-19)10-1-2-10/h10,19H,1-9,16H2
InChIKeyZNBIBVHBMJBGTK-UHFFFAOYSA-N
XLogP0.27
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (CID 64790293) is 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is NC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is ZNBIBVHBMJBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c13-12(14,15)8-18-5-3-17(4-6-18)7-11(16,9-19)10-1-2-10/h10,19H,1-9,16H2.
What are the key properties of 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 281.32 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 2-amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 64790293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).