1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C21H30N2O2 — CID 51003459

IUPAC1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cccc(C)c1/C=C/C1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-17-4-3-5-18(2)20(17)7-6-19-8-10-23(11-9-19)21(24)16-22-12-14-25-15-13-22/h3-7,19H,8-16H2,1-2H3/b7-6+
InChIKeyZDHYNYZRLBQGPR-VOTSOKGWSA-N
MW342.48 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 51003459) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID51003459
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cccc(C)c1/C=C/C1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-17-4-3-5-18(2)20(17)7-6-19-8-10-23(11-9-19)21(24)16-22-12-14-25-15-13-22/h3-7,19H,8-16H2,1-2H3/b7-6+
InChIKeyZDHYNYZRLBQGPR-VOTSOKGWSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 67444746
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-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone
CID 59686376
4-[2-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride
CID 67442691
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-[methyl(oxan-4-yl)amino]ethanone;hydrochloride
CID 67442441
2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone
CID 67442460
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
1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686441
1-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 162334768
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 10366310
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686471

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 51003459) is 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is Cc1cccc(C)c1/C=C/C1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ZDHYNYZRLBQGPR-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-17-4-3-5-18(2)20(17)7-6-19-8-10-23(11-9-19)21(24)16-22-12-14-25-15-13-22/h3-7,19H,8-16H2,1-2H3/b7-6+.
What are the key properties of 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 342.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 51003459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).