(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol

C16H22F2N2O3 — CID 133114629

IUPAC(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@H]1N1CCOCC1
InChIInChI=1S/C16H22F2N2O3/c17-16(18)23-15-4-2-1-3-12(15)9-19-10-13(14(21)11-19)20-5-7-22-8-6-20/h1-4,13-14,16,21H,5-11H2/t13-,14-/m1/s1
InChIKeyLQXKXDVELDFUTD-ZIAGYGMSSA-N
MW328.36 g/mol
LogP1.17
Rot. Bonds5

About (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol

(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol (PubChem CID 133114629) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol
PubChem CID133114629
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@H]1N1CCOCC1
InChIInChI=1S/C16H22F2N2O3/c17-16(18)23-15-4-2-1-3-12(15)9-19-10-13(14(21)11-19)20-5-7-22-8-6-20/h1-4,13-14,16,21H,5-11H2/t13-,14-/m1/s1
InChIKeyLQXKXDVELDFUTD-ZIAGYGMSSA-N
XLogP1.17
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,5R,6R,7aS)-2-[[2-(difluoromethoxy)phenyl]methyl]-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol;formic acid
CID 172909970
3-[(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26327720
(3S,4S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
CID 77082837
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
N-[[2-(difluoromethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675802
(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 74229739
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909783
(3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol
CID 56905170
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
N-[(4S,5R)-9-[[2-(difluoromethoxy)phenyl]methyl]-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 166622521
(3aR,7aR)-2-[[2-(difluoromethoxy)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137341835

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol (CID 133114629) is (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol is O[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@H]1N1CCOCC1.
What is the InChIKey of (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The InChIKey is LQXKXDVELDFUTD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c17-16(18)23-15-4-2-1-3-12(15)9-19-10-13(14(21)11-19)20-5-7-22-8-6-20/h1-4,13-14,16,21H,5-11H2/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol has a molecular weight of 328.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 133114629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).