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

C14H26F3N3O — CID 64792488

IUPAC2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCC(CO)(CCN1CCN(CC(F)(F)F)CC1)NC1CC1
InChIInChI=1S/C14H26F3N3O/c1-13(11-21,18-12-2-3-12)4-5-19-6-8-20(9-7-19)10-14(15,16)17/h12,18,21H,2-11H2,1H3
InChIKeyLPUBSGPCQNVQIX-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.06
Rot. Bonds7

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

2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (PubChem CID 64792488) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
PubChem CID64792488
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCC(CO)(CCN1CCN(CC(F)(F)F)CC1)NC1CC1
InChIInChI=1S/C14H26F3N3O/c1-13(11-21,18-12-2-3-12)4-5-19-6-8-20(9-7-19)10-14(15,16)17/h12,18,21H,2-11H2,1H3
InChIKeyLPUBSGPCQNVQIX-UHFFFAOYSA-N
XLogP1.06
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (CID 64792488) is 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is CC(CO)(CCN1CCN(CC(F)(F)F)CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is LPUBSGPCQNVQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-13(11-21,18-12-2-3-12)4-5-19-6-8-20(9-7-19)10-14(15,16)17/h12,18,21H,2-11H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol has a molecular weight of 309.38 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 64792488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).