2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one

C16H30N2O3 — CID 110908158

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one
SMILESCC1CN(C(C(=O)N2CCCC(O)C2)C(C)C)CC(C)O1
InChIInChI=1S/C16H30N2O3/c1-11(2)15(18-8-12(3)21-13(4)9-18)16(20)17-7-5-6-14(19)10-17/h11-15,19H,5-10H2,1-4H3
InChIKeyMSRBCWOIYQHECQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.10
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one

2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 110908158) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one
PubChem CID110908158
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one
SMILESCC1CN(C(C(=O)N2CCCC(O)C2)C(C)C)CC(C)O1
InChIInChI=1S/C16H30N2O3/c1-11(2)15(18-8-12(3)21-13(4)9-18)16(20)17-7-5-6-14(19)10-17/h11-15,19H,5-10H2,1-4H3
InChIKeyMSRBCWOIYQHECQ-UHFFFAOYSA-N
XLogP1.10
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-1-[(2R)-2-methylmorpholin-4-yl]butan-1-one
CID 124826397
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-methylbutan-1-one
CID 98758185
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 119624386
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
(2S)-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 124721262
2-bromo-1-[(3S)-3-hydroxypiperidin-1-yl]butan-1-one
CID 107216836
2-bromo-1-(3-hydroxypiperidin-1-yl)butan-1-one
CID 62854840
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide
CID 60613958

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one (CID 110908158) is 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one is CC1CN(C(C(=O)N2CCCC(O)C2)C(C)C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is MSRBCWOIYQHECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)15(18-8-12(3)21-13(4)9-18)16(20)17-7-5-6-14(19)10-17/h11-15,19H,5-10H2,1-4H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one?
2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 298.43 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 110908158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).