[2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol

C15H21F3N2O2 — CID 164631477

IUPAC[2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCC(C)(C)[C@@H]1CN(c2cc(CO)cc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C15H21F3N2O2/c1-14(2,3)12-8-20(4-5-22-12)13-7-10(9-21)6-11(19-13)15(16,17)18/h6-7,12,21H,4-5,8-9H2,1-3H3/t12-/m0/s1
InChIKeyTVILSDDBFTWFKQ-LBPRGKRZSA-N
MW318.34 g/mol
LogP2.84
Rot. Bonds2

About [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol

[2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 164631477) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID164631477
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name[2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCC(C)(C)[C@@H]1CN(c2cc(CO)cc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C15H21F3N2O2/c1-14(2,3)12-8-20(4-5-22-12)13-7-10(9-21)6-11(19-13)15(16,17)18/h6-7,12,21H,4-5,8-9H2,1-3H3/t12-/m0/s1
InChIKeyTVILSDDBFTWFKQ-LBPRGKRZSA-N
XLogP2.84
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol (CID 164631477) is [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol is CC(C)(C)[C@@H]1CN(c2cc(CO)cc(C(F)(F)F)n2)CCO1.
What is the InChIKey of [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is TVILSDDBFTWFKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-14(2,3)12-8-20(4-5-22-12)13-7-10(9-21)6-11(19-13)15(16,17)18/h6-7,12,21H,4-5,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol?
[2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 318.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-tert-butylmorpholin-4-yl]-6-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 164631477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).