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

C13H24F3N3O — CID 64790098

IUPAC2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCNC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C13H24F3N3O/c1-17-12(10-20,11-2-3-11)8-18-4-6-19(7-5-18)9-13(14,15)16/h11,17,20H,2-10H2,1H3
InChIKeyUTNPFNBSVJFEBS-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.53
Rot. Bonds6

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

2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (PubChem CID 64790098) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
PubChem CID64790098
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCNC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C13H24F3N3O/c1-17-12(10-20,11-2-3-11)8-18-4-6-19(7-5-18)9-13(14,15)16/h11,17,20H,2-10H2,1H3
InChIKeyUTNPFNBSVJFEBS-UHFFFAOYSA-N
XLogP0.53
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
CID 61247005
2-(Ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64790097
2-Amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64790293
2-Methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64790493
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64790495
2-Methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol
CID 64790691
2-Cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64790889
2-(Ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64792486
2-Cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64825266
2-Cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64825488
2-Amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64825682
2-Cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol
CID 64825685

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (CID 64790098) is 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is CNC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is UTNPFNBSVJFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-17-12(10-20,11-2-3-11)8-18-4-6-19(7-5-18)9-13(14,15)16/h11,17,20H,2-10H2,1H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 295.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 64790098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).