1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone

C21H23NO2 — CID 23383783

IUPAC1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
SMILESCOc1ccccc1C(=C1CCNCC1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H23NO2/c1-15(23)16-7-9-17(10-8-16)21(18-11-13-22-14-12-18)19-5-3-4-6-20(19)24-2/h3-10,22H,11-14H2,1-2H3
InChIKeyOTXHTJDMLWKBLI-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.08
Rot. Bonds4

About 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone

1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone (PubChem CID 23383783) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
PubChem CID23383783
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
SMILESCOc1ccccc1C(=C1CCNCC1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H23NO2/c1-15(23)16-7-9-17(10-8-16)21(18-11-13-22-14-12-18)19-5-3-4-6-20(19)24-2/h3-10,22H,11-14H2,1-2H3
InChIKeyOTXHTJDMLWKBLI-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)-(3-methylphenyl)methylidene]piperidine
CID 70910867
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
3-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 143065867
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
[3-[(3,4-dimethoxyphenyl)-piperidin-4-ylidenemethyl]-2-pyridinyl] 2,2,2-trifluoroacetate
CID 155757199
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine
CID 152605526
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone (CID 23383783) is 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone is COc1ccccc1C(=C1CCNCC1)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone?
The InChIKey is OTXHTJDMLWKBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15(23)16-7-9-17(10-8-16)21(18-11-13-22-14-12-18)19-5-3-4-6-20(19)24-2/h3-10,22H,11-14H2,1-2H3.
What are the key properties of 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone?
1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone has a molecular weight of 321.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone is sourced from PubChem (CID 23383783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).