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

C19H28N2O3 — CID 754225

IUPAC1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESC[C@@H]1CN(C2CCN(C(=O)COc3ccccc3)CC2)C[C@@H](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/t15-,16-/m1/s1
InChIKeyHHRXSHAESBKNRB-HZPDHXFCSA-N
MW332.44 g/mol
LogP2.17
Rot. Bonds4

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

1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 754225) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID754225
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESC[C@@H]1CN(C2CCN(C(=O)COc3ccccc3)CC2)C[C@@H](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/t15-,16-/m1/s1
InChIKeyHHRXSHAESBKNRB-HZPDHXFCSA-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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Related Compounds

2-(4-chlorophenoxy)-1-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]ethanone;oxalic acid
CID 2913008
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
CID 51937065
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone;oxalic acid
CID 2910783
4-[2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 56795828
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 56896554
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone (CID 754225) is 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone is C[C@@H]1CN(C2CCN(C(=O)COc3ccccc3)CC2)C[C@@H](C)O1.
What is the InChIKey of 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is HHRXSHAESBKNRB-HZPDHXFCSA-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/t15-,16-/m1/s1.
What are the key properties of 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[(2R,6R)-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-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 754225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).