1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one

C16H23NO2 — CID 807657

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
SMILESC[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C16H23NO2/c1-13-11-17(12-14(2)19-13)16(18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3/t13-,14+
InChIKeyUSQSZQZXLIKUNP-OKILXGFUSA-N
MW261.36 g/mol
LogP2.65
Rot. Bonds4

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one (PubChem CID 807657) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
PubChem CID807657
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
SMILESC[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C16H23NO2/c1-13-11-17(12-14(2)19-13)16(18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3/t13-,14+
InChIKeyUSQSZQZXLIKUNP-OKILXGFUSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
2-benzylsulfanyl-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 889316
2-benzylsulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 889317
1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one
CID 47914931
4-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 82071036
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-(4-chloro-3-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 114683070
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-phenylbutan-1-one
CID 66211030
2-benzylsulfonyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1094085
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenylacetamide
CID 51160848
1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylphenoxy)butan-1-one
CID 127115825

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one (CID 807657) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one is C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H](C)O1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one?
The InChIKey is USQSZQZXLIKUNP-OKILXGFUSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-11-17(12-14(2)19-13)16(18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3/t13-,14+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one has a molecular weight of 261.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 807657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).