[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone

C32H31NO2 — CID 122651228

IUPAC[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1cccc(-c2ccc(C3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)cc2)c1C
InChIInChI=1S/C32H31NO2/c1-23-9-8-13-29(24(23)2)27-17-15-25(16-18-27)26-19-21-33(22-20-26)32(34)30-12-6-7-14-31(30)35-28-10-4-3-5-11-28/h3-18,26H,19-22H2,1-2H3
InChIKeyKJIRSDAXPCUQSM-UHFFFAOYSA-N
MW461.61 g/mol
LogP7.78
Rot. Bonds5

About [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone

[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 122651228) has the molecular formula C32H31NO2 and a molecular weight of 461.61 g/mol. Its IUPAC name is [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID122651228
Molecular FormulaC32H31NO2
Molecular Weight461.61 g/mol
Exact Mass461.24
IUPAC Name[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1cccc(-c2ccc(C3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)cc2)c1C
InChIInChI=1S/C32H31NO2/c1-23-9-8-13-29(24(23)2)27-17-15-25(16-18-27)26-19-21-33(22-20-26)32(34)30-12-6-7-14-31(30)35-28-10-4-3-5-11-28/h3-18,26H,19-22H2,1-2H3
InChIKeyKJIRSDAXPCUQSM-UHFFFAOYSA-N
XLogP7.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 47061076
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine
CID 122651457
2H-benzotriazol-5-yl-[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]methanone
CID 122651587
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
4-[4-(2,3-dimethylphenyl)phenyl]-1-(2-methylphenyl)sulfanylpiperidine
CID 145176816
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90559487
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
N,N-dimethyl-2-[2-(4-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 39580956

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone (CID 122651228) is [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone is Cc1cccc(-c2ccc(C3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)cc2)c1C.
What is the InChIKey of [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is KJIRSDAXPCUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO2/c1-23-9-8-13-29(24(23)2)27-17-15-25(16-18-27)26-19-21-33(22-20-26)32(34)30-12-6-7-14-31(30)35-28-10-4-3-5-11-28/h3-18,26H,19-22H2,1-2H3.
What are the key properties of [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone?
[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 461.61 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 122651228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).