1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

C13H22F3N3O — CID 114489992

IUPAC1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESOC(CN1CC=C(C(F)(F)F)CC1)CN1CCNCC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)11-1-5-18(6-2-11)9-12(20)10-19-7-3-17-4-8-19/h1,12,17,20H,2-10H2
InChIKeyUWQHQCAGLOEZLK-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.45
Rot. Bonds4

About 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (PubChem CID 114489992) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
PubChem CID114489992
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESOC(CN1CC=C(C(F)(F)F)CC1)CN1CCNCC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)11-1-5-18(6-2-11)9-12(20)10-19-7-3-17-4-8-19/h1,12,17,20H,2-10H2
InChIKeyUWQHQCAGLOEZLK-UHFFFAOYSA-N
XLogP0.45
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 113591697
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114489989
1-amino-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
CID 114489994
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 113588352

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (CID 114489992) is 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is OC(CN1CC=C(C(F)(F)F)CC1)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The InChIKey is UWQHQCAGLOEZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)11-1-5-18(6-2-11)9-12(20)10-19-7-3-17-4-8-19/h1,12,17,20H,2-10H2.
What are the key properties of 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol has a molecular weight of 293.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 114489992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).