1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one

C18H27NO2 — CID 110643761

IUPAC1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one
SMILESCCCCC(=O)N1CC(Cc2ccccc2)OCC1(C)C
InChIInChI=1S/C18H27NO2/c1-4-5-11-17(20)19-13-16(21-14-18(19,2)3)12-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14H2,1-3H3
InChIKeyBUCDGJDPORRQKL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.43
Rot. Bonds5

About 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one

1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one (PubChem CID 110643761) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one
PubChem CID110643761
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one
SMILESCCCCC(=O)N1CC(Cc2ccccc2)OCC1(C)C
InChIInChI=1S/C18H27NO2/c1-4-5-11-17(20)19-13-16(21-14-18(19,2)3)12-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14H2,1-3H3
InChIKeyBUCDGJDPORRQKL-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110643790
2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110746745
1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
CID 110643995
1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 52985704
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
ethyl 5,5-dimethyl-2-(2-phenylethyl)morpholine-4-carboxylate
CID 110707040
1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
CID 110643992
2-benzyl-4-dodecylmorpholine
CID 70634633
2-benzyl-5,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110643844
1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one
CID 68996990
[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110707034
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one (CID 110643761) is 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one is CCCCC(=O)N1CC(Cc2ccccc2)OCC1(C)C.
What is the InChIKey of 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one?
The InChIKey is BUCDGJDPORRQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-5-11-17(20)19-13-16(21-14-18(19,2)3)12-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14H2,1-3H3.
What are the key properties of 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one?
1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 110643761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).