1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C22H32N2O2 — CID 67444746

IUPAC1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1cccc(C)c1C=CC1CCN(C(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C22H32N2O2/c1-18-4-3-5-19(2)21(18)7-6-20-8-12-24(13-9-20)22(25)10-11-23-14-16-26-17-15-23/h3-7,20H,8-17H2,1-2H3
InChIKeyBLXXUUBOZHRUMX-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.28
Rot. Bonds5

About 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 67444746) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID67444746
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1cccc(C)c1C=CC1CCN(C(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C22H32N2O2/c1-18-4-3-5-19(2)21(18)7-6-20-8-12-24(13-9-20)22(25)10-11-23-14-16-26-17-15-23/h3-7,20H,8-17H2,1-2H3
InChIKeyBLXXUUBOZHRUMX-UHFFFAOYSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 51003459
4-[2-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride
CID 67442691
1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 174492810
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-[methyl(oxan-4-yl)amino]ethanone;hydrochloride
CID 67442441
1-[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone
CID 59686376
1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70783053
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 10000480
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
1-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 162334768
2-amino-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 67442232
1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686398
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686356

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 67444746) is 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is Cc1cccc(C)c1C=CC1CCN(C(=O)CCN2CCOCC2)CC1.
What is the InChIKey of 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is BLXXUUBOZHRUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-18-4-3-5-19(2)21(18)7-6-20-8-12-24(13-9-20)22(25)10-11-23-14-16-26-17-15-23/h3-7,20H,8-17H2,1-2H3.
What are the key properties of 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 356.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 67444746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).