6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine

C16H22ClN3O — CID 114780581

IUPAC6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine
SMILESCn1nc(CN2CC(CCl)OC(C)(C)C2)c2ccccc21
InChIInChI=1S/C16H22ClN3O/c1-16(2)11-20(9-12(8-17)21-16)10-14-13-6-4-5-7-15(13)19(3)18-14/h4-7,12H,8-11H2,1-3H3
InChIKeyOYWGQWLZLOKAHK-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.79
Rot. Bonds3

About 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine

6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine (PubChem CID 114780581) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine
PubChem CID114780581
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine
SMILESCn1nc(CN2CC(CCl)OC(C)(C)C2)c2ccccc21
InChIInChI=1S/C16H22ClN3O/c1-16(2)11-20(9-12(8-17)21-16)10-14-13-6-4-5-7-15(13)19(3)18-14/h4-7,12H,8-11H2,1-3H3
InChIKeyOYWGQWLZLOKAHK-UHFFFAOYSA-N
XLogP2.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine (CID 114780581) is 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine is Cn1nc(CN2CC(CCl)OC(C)(C)C2)c2ccccc21.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine?
The InChIKey is OYWGQWLZLOKAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-16(2)11-20(9-12(8-17)21-16)10-14-13-6-4-5-7-15(13)19(3)18-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine?
6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine has a molecular weight of 307.82 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-[(1-methylindazol-3-yl)methyl]morpholine is sourced from PubChem (CID 114780581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).