1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one

C20H30N2O2 — CID 119751371

IUPAC1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC1CN(C(=O)CC(C)C2CCNCC2)CC(c2ccccc2)O1
InChIInChI=1S/C20H30N2O2/c1-15(17-8-10-21-11-9-17)12-20(23)22-13-16(2)24-19(14-22)18-6-4-3-5-7-18/h3-7,15-17,19,21H,8-14H2,1-2H3
InChIKeySKEIXFXZNATSSI-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.00
Rot. Bonds4

About 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one

1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one (PubChem CID 119751371) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
PubChem CID119751371
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC1CN(C(=O)CC(C)C2CCNCC2)CC(c2ccccc2)O1
InChIInChI=1S/C20H30N2O2/c1-15(17-8-10-21-11-9-17)12-20(23)22-13-16(2)24-19(14-22)18-6-4-3-5-7-18/h3-7,15-17,19,21H,8-14H2,1-2H3
InChIKeySKEIXFXZNATSSI-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-2-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119769865
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151
1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119790946
3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one
CID 110369052
1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one
CID 119768937
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119703775
1-(3-phenylthiomorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119708943

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one (CID 119751371) is 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one is CC1CN(C(=O)CC(C)C2CCNCC2)CC(c2ccccc2)O1.
What is the InChIKey of 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one?
The InChIKey is SKEIXFXZNATSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(17-8-10-21-11-9-17)12-20(23)22-13-16(2)24-19(14-22)18-6-4-3-5-7-18/h3-7,15-17,19,21H,8-14H2,1-2H3.
What are the key properties of 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one?
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one has a molecular weight of 330.47 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119751371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).