1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone

C19H28N2O3 — CID 660912

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESCC1CN(C2CCN(C(=O)COc3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C19H28N2O3/c1-15-12-21(13-16(2)24-15)17-8-10-20(11-9-17)19(22)14-23-18-6-4-3-5-7-18/h3-7,15-17H,8-14H2,1-2H3
InChIKeyHHRXSHAESBKNRB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.17
Rot. Bonds4

About 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone

1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 660912) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID660912
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESCC1CN(C2CCN(C(=O)COc3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C19H28N2O3/c1-15-12-21(13-16(2)24-15)17-8-10-20(11-9-17)19(22)14-23-18-6-4-3-5-7-18/h3-7,15-17H,8-14H2,1-2H3
InChIKeyHHRXSHAESBKNRB-UHFFFAOYSA-N
XLogP2.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone (CID 660912) is 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone is CC1CN(C2CCN(C(=O)COc3ccccc3)CC2)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is HHRXSHAESBKNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-12-21(13-16(2)24-15)17-8-10-20(11-9-17)19(22)14-23-18-6-4-3-5-7-18/h3-7,15-17H,8-14H2,1-2H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 332.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 660912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).