1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol

C14H19F3N4O2 — CID 67954175

IUPAC1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2cc(OC3CCNCC3)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)13-19-9(6-21-7-10(22)8-21)5-12(20-13)23-11-1-3-18-4-2-11/h5,10-11,18,22H,1-4,6-8H2
InChIKeySNPFCEBTTMEXGC-UHFFFAOYSA-N
MW332.33 g/mol
LogP0.80
Rot. Bonds4

About 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol

1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol (PubChem CID 67954175) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol
PubChem CID67954175
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2cc(OC3CCNCC3)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)13-19-9(6-21-7-10(22)8-21)5-12(20-13)23-11-1-3-18-4-2-11/h5,10-11,18,22H,1-4,6-8H2
InChIKeySNPFCEBTTMEXGC-UHFFFAOYSA-N
XLogP0.80
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol with MolForge

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Related Compounds

4-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyrimidine
CID 11623349
tert-Butyl 4-{[6-[(ethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxy}piperidine-1-carboxylate
CID 67954294
4-[6-[(3-Hydroxyazetidin-1-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 67954525
N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
CID 67954613
4-[6-[(Dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 67955028
4-[6-(Ethylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 69672893
N,N-dimethyl-1-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methanamine
CID 69672896
tert-Butyl 4-{[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxy}piperidine-1-carboxylate
CID 69673027
[6-Piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methanol
CID 69673615
tert-Butyl 4-{[6-[(3-hydroxyazetidin-1-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxy}piperidine-1-carboxylate
CID 69673616
4-Methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87944972
4-Methyl-6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine
CID 87944973

Frequently Asked Questions

What is the IUPAC name of 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol (CID 67954175) is 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol is OC1CN(Cc2cc(OC3CCNCC3)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol?
The InChIKey is SNPFCEBTTMEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c15-14(16,17)13-19-9(6-21-7-10(22)8-21)5-12(20-13)23-11-1-3-18-4-2-11/h5,10-11,18,22H,1-4,6-8H2.
What are the key properties of 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol?
1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol has a molecular weight of 332.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 67954175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).