1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol

C14H19F3N4O2 — CID 56865177

IUPAC1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(N3CCOC(C(F)(F)F)C3)ncn2)CC1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)11-8-21(5-6-23-11)13-7-12(18-9-19-13)20-3-1-10(22)2-4-20/h7,9-11,22H,1-6,8H2
InChIKeyWVDKLLKRLNCDEY-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.21
Rot. Bonds2

About 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol

1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 56865177) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID56865177
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(N3CCOC(C(F)(F)F)C3)ncn2)CC1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)11-8-21(5-6-23-11)13-7-12(18-9-19-13)20-3-1-10(22)2-4-20/h7,9-11,22H,1-6,8H2
InChIKeyWVDKLLKRLNCDEY-UHFFFAOYSA-N
XLogP1.21
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol (CID 56865177) is 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(N3CCOC(C(F)(F)F)C3)ncn2)CC1.
What is the InChIKey of 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is WVDKLLKRLNCDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c15-14(16,17)11-8-21(5-6-23-11)13-7-12(18-9-19-13)20-3-1-10(22)2-4-20/h7,9-11,22H,1-6,8H2.
What are the key properties of 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 332.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 56865177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).