2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol

C16H23F3N4O2 — CID 157039468

IUPAC2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOCC1CC(O)CCN1CC1CCN(c2cncnc2C(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)15-14(6-20-10-21-15)23-3-1-11(8-23)7-22-4-2-13(25)5-12(22)9-24/h6,10-13,24-25H,1-5,7-9H2
InChIKeyJPFFKXNRFRVLRD-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.14
Rot. Bonds4

About 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol

2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol (PubChem CID 157039468) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
PubChem CID157039468
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOCC1CC(O)CCN1CC1CCN(c2cncnc2C(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)15-14(6-20-10-21-15)23-3-1-11(8-23)7-22-4-2-13(25)5-12(22)9-24/h6,10-13,24-25H,1-5,7-9H2
InChIKeyJPFFKXNRFRVLRD-UHFFFAOYSA-N
XLogP1.14
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-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

(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286702
(2R,3R,4R,5S)-2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286706
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155302679
2-Methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 155302681
1,2-Dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
CID 155721031
1-[[1-[4-(Trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 157038998
1-Methylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
CID 157039024
1-[[(3S)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039137
1-[[(3R)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039271
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3R)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039509
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3S)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039768
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3S)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039792

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol (CID 157039468) is 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol is OCC1CC(O)CCN1CC1CCN(c2cncnc2C(F)(F)F)C1.
What is the InChIKey of 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The InChIKey is JPFFKXNRFRVLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c17-16(18,19)15-14(6-20-10-21-15)23-3-1-11(8-23)7-22-4-2-13(25)5-12(22)9-24/h6,10-13,24-25H,1-5,7-9H2.
What are the key properties of 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 360.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157039468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).