4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one

C19H19F3N2O3 — CID 153337815

IUPAC4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCOCC3=O)cc2)c1CO
InChIInChI=1S/C19H19F3N2O3/c1-12-8-16(19(20,21)22)23-18(15(12)10-25)14-4-2-13(3-5-14)9-24-6-7-27-11-17(24)26/h2-5,8,25H,6-7,9-11H2,1H3
InChIKeySDBURPMERXJWJS-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.93
Rot. Bonds4

About 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one

4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one (PubChem CID 153337815) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one
PubChem CID153337815
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCOCC3=O)cc2)c1CO
InChIInChI=1S/C19H19F3N2O3/c1-12-8-16(19(20,21)22)23-18(15(12)10-25)14-4-2-13(3-5-14)9-24-6-7-27-11-17(24)26/h2-5,8,25H,6-7,9-11H2,1H3
InChIKeySDBURPMERXJWJS-UHFFFAOYSA-N
XLogP2.93
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one?
The IUPAC name of 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one (CID 153337815) is 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one is Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCOCC3=O)cc2)c1CO.
What is the InChIKey of 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one?
The InChIKey is SDBURPMERXJWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12-8-16(19(20,21)22)23-18(15(12)10-25)14-4-2-13(3-5-14)9-24-6-7-27-11-17(24)26/h2-5,8,25H,6-7,9-11H2,1H3.
What are the key properties of 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one?
4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one has a molecular weight of 380.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 153337815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).