1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol

C16H25F3N4O2 — CID 3841755

IUPAC1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESCC(C)COCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H25F3N4O2/c1-12(2)10-25-11-13(24)9-22-5-7-23(8-6-22)15-20-4-3-14(21-15)16(17,18)19/h3-4,12-13,24H,5-11H2,1-2H3
InChIKeyXIYLPGPYIMJMKN-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.65
Rot. Bonds7

About 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol

1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 3841755) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID3841755
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC Name1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESCC(C)COCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H25F3N4O2/c1-12(2)10-25-11-13(24)9-22-5-7-23(8-6-22)15-20-4-3-14(21-15)16(17,18)19/h3-4,12-13,24H,5-11H2,1-2H3
InChIKeyXIYLPGPYIMJMKN-UHFFFAOYSA-N
XLogP1.65
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (CID 3841755) is 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is CC(C)COCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is XIYLPGPYIMJMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-12(2)10-25-11-13(24)9-22-5-7-23(8-6-22)15-20-4-3-14(21-15)16(17,18)19/h3-4,12-13,24H,5-11H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 362.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3841755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).