4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine

C12H22N2O — CID 166542651

IUPAC4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine
SMILESCC1(C)CC(CN2CCOCC2)=CCN1
InChIInChI=1S/C12H22N2O/c1-12(2)9-11(3-4-13-12)10-14-5-7-15-8-6-14/h3,13H,4-10H2,1-2H3
InChIKeyCOBXHFRVWUKVBI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds2

About 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine

4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine (PubChem CID 166542651) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine
PubChem CID166542651
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine
SMILESCC1(C)CC(CN2CCOCC2)=CCN1
InChIInChI=1S/C12H22N2O/c1-12(2)9-11(3-4-13-12)10-14-5-7-15-8-6-14/h3,13H,4-10H2,1-2H3
InChIKeyCOBXHFRVWUKVBI-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine?
The IUPAC name of 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine (CID 166542651) is 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine is CC1(C)CC(CN2CCOCC2)=CCN1.
What is the InChIKey of 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine?
The InChIKey is COBXHFRVWUKVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2)9-11(3-4-13-12)10-14-5-7-15-8-6-14/h3,13H,4-10H2,1-2H3.
What are the key properties of 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine?
4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)methyl]morpholine is sourced from PubChem (CID 166542651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).