2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol

C16H24F3N3O2 — CID 70712052

IUPAC2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCc1cc(C(F)(F)F)cc(N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)n1
InChIInChI=1S/C16H24F3N3O2/c1-11-5-14(16(17,18)19)6-15(20-11)22-8-12(13(9-22)10-24)7-21(2)3-4-23/h5-6,12-13,23-24H,3-4,7-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyGVFLROJILZULTJ-CHWSQXEVSA-N
MW347.38 g/mol
LogP1.38
Rot. Bonds6

About 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol

2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol (PubChem CID 70712052) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol
PubChem CID70712052
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCc1cc(C(F)(F)F)cc(N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)n1
InChIInChI=1S/C16H24F3N3O2/c1-11-5-14(16(17,18)19)6-15(20-11)22-8-12(13(9-22)10-24)7-21(2)3-4-23/h5-6,12-13,23-24H,3-4,7-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyGVFLROJILZULTJ-CHWSQXEVSA-N
XLogP1.38
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 137639342
(2R)-2-[[3-fluoro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312754
(R)-4-(3-hydroxypyrrolidin-1-yl)-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 153608617
(R)-4-(2-(hydroxymethyl)pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)pyrido-[2,3-d]pyrimidin-2(1H)-one
CID 153608740
(R)-4-(3-(hydroxymethyl)pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608841
(R)-4-(3-hydroxypyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 156514049
3-(Piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 70711048
[(2S)-5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529251
[(2S)-1,9-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529267
[(2S)-1,9-dimethyl-5-(3-methylbutyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529256
2-[ethyl-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]amino]ethanol
CID 70706670
2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70709352

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol (CID 70712052) is 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol is Cc1cc(C(F)(F)F)cc(N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)n1.
What is the InChIKey of 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol?
The InChIKey is GVFLROJILZULTJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-11-5-14(16(17,18)19)6-15(20-11)22-8-12(13(9-22)10-24)7-21(2)3-4-23/h5-6,12-13,23-24H,3-4,7-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol?
2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol has a molecular weight of 347.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70712052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).