4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol

C16H23F3N4O2 — CID 126889881

IUPAC4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol
SMILESOC1(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)CCOCC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)13-9-14(21-11-20-13)22-12-1-5-23(6-2-12)10-15(24)3-7-25-8-4-15/h9,11-12,24H,1-8,10H2,(H,20,21,22)
InChIKeyBYPBPAAYQPWBDJ-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.91
Rot. Bonds4

About 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol

4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 126889881) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol
PubChem CID126889881
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol
SMILESOC1(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)CCOCC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)13-9-14(21-11-20-13)22-12-1-5-23(6-2-12)10-15(24)3-7-25-8-4-15/h9,11-12,24H,1-8,10H2,(H,20,21,22)
InChIKeyBYPBPAAYQPWBDJ-UHFFFAOYSA-N
XLogP1.91
TPSA70.51 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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol (CID 126889881) is 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol is OC1(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)CCOCC1.
What is the InChIKey of 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is BYPBPAAYQPWBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c17-16(18,19)13-9-14(21-11-20-13)22-12-1-5-23(6-2-12)10-15(24)3-7-25-8-4-15/h9,11-12,24H,1-8,10H2,(H,20,21,22).
What are the key properties of 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol?
4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 360.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 126889881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).