[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone

C22H27NO2 — CID 55803881

IUPAC[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H27NO2/c1-15-5-6-17(3)21(13-15)22(24)23-11-9-19(10-12-23)25-20-8-7-16(2)18(4)14-20/h5-8,13-14,19H,9-12H2,1-4H3
InChIKeyBIFANCWCPJJLME-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.60
Rot. Bonds3

About [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone (PubChem CID 55803881) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
PubChem CID55803881
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H27NO2/c1-15-5-6-17(3)21(13-15)22(24)23-11-9-19(10-12-23)25-20-8-7-16(2)18(4)14-20/h5-8,13-14,19H,9-12H2,1-4H3
InChIKeyBIFANCWCPJJLME-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916408
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56814293
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 56817214
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 129368292
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759044
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(2S)-1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-ethoxypropan-1-one
CID 124507229
[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 124698060
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone (CID 55803881) is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The InChIKey is BIFANCWCPJJLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-5-6-17(3)21(13-15)22(24)23-11-9-19(10-12-23)25-20-8-7-16(2)18(4)14-20/h5-8,13-14,19H,9-12H2,1-4H3.
What are the key properties of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone?
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 55803881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).