[(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol

C18H20Cl2N2O3 — CID 171499758

IUPAC[(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
SMILESCOc1ccc(CN2[C@H](CO)COC[C@H]2c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2N2O3/c1-24-15-4-2-12(3-5-15)8-22-14(9-23)10-25-11-16(22)13-6-17(19)21-18(20)7-13/h2-7,14,16,23H,8-11H2,1H3/t14-,16+/m1/s1
InChIKeyZVGZEKGLGAPAHG-ZBFHGGJFSA-N
MW383.28 g/mol
LogP3.33
Rot. Bonds5

About [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol

[(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol (PubChem CID 171499758) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
PubChem CID171499758
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name[(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
SMILESCOc1ccc(CN2[C@H](CO)COC[C@H]2c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2N2O3/c1-24-15-4-2-12(3-5-15)8-22-14(9-23)10-25-11-16(22)13-6-17(19)21-18(20)7-13/h2-7,14,16,23H,8-11H2,1H3/t14-,16+/m1/s1
InChIKeyZVGZEKGLGAPAHG-ZBFHGGJFSA-N
XLogP3.33
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol?
The IUPAC name of [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol (CID 171499758) is [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol is COc1ccc(CN2[C@H](CO)COC[C@H]2c2cc(Cl)nc(Cl)c2)cc1.
What is the InChIKey of [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol?
The InChIKey is ZVGZEKGLGAPAHG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-24-15-4-2-12(3-5-15)8-22-14(9-23)10-25-11-16(22)13-6-17(19)21-18(20)7-13/h2-7,14,16,23H,8-11H2,1H3/t14-,16+/m1/s1.
What are the key properties of [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol?
[(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol has a molecular weight of 383.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-(2,6-dichloro-4-pyridinyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 171499758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).