[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol

C20H26N2O5 — CID 155918000

IUPAC[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESCOc1cccc(CN2CCO[C@@H](CO)[C@@H]2c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H26N2O5/c1-24-16-8-7-14(11-17(16)25-2)20-18(13-23)27-10-9-22(20)12-15-5-4-6-19(21-15)26-3/h4-8,11,18,20,23H,9-10,12-13H2,1-3H3/t18-,20-/m0/s1
InChIKeyCQERMZRTAFXSHP-ICSRJNTNSA-N
MW374.44 g/mol
LogP2.04
Rot. Bonds7

About [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol

[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol (PubChem CID 155918000) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol
PubChem CID155918000
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol
SMILESCOc1cccc(CN2CCO[C@@H](CO)[C@@H]2c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H26N2O5/c1-24-16-8-7-14(11-17(16)25-2)20-18(13-23)27-10-9-22(20)12-15-5-4-6-19(21-15)26-3/h4-8,11,18,20,23H,9-10,12-13H2,1-3H3/t18-,20-/m0/s1
InChIKeyCQERMZRTAFXSHP-ICSRJNTNSA-N
XLogP2.04
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol (CID 155918000) is [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol is COc1cccc(CN2CCO[C@@H](CO)[C@@H]2c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol?
The InChIKey is CQERMZRTAFXSHP-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-24-16-8-7-14(11-17(16)25-2)20-18(13-23)27-10-9-22(20)12-15-5-4-6-19(21-15)26-3/h4-8,11,18,20,23H,9-10,12-13H2,1-3H3/t18-,20-/m0/s1.
What are the key properties of [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol?
[(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol has a molecular weight of 374.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(3,4-dimethoxyphenyl)-4-[(6-methoxy-2-pyridinyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 155918000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).