1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol

C12H16F3N3O — CID 131985372

IUPAC1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15/h6-9,19H,2-5H2,1H3
InChIKeyCBERLDITLDYMLT-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.09
Rot. Bonds2

About 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol

1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (PubChem CID 131985372) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
PubChem CID131985372
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15/h6-9,19H,2-5H2,1H3
InChIKeyCBERLDITLDYMLT-UHFFFAOYSA-N
XLogP2.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol 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-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (CID 131985372) is 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The InChIKey is CBERLDITLDYMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15/h6-9,19H,2-5H2,1H3.
What are the key properties of 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 131985372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).