1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one

C22H27NO2 — CID 71395392

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one
SMILESCC1CCCC(C)N1CC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO2/c1-17-7-6-8-18(2)23(17)15-21(24)16-25-22-13-11-20(12-14-22)19-9-4-3-5-10-19/h3-5,9-14,17-18H,6-8,15-16H2,1-2H3
InChIKeyXKHPDUPTIOTBIP-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.56
Rot. Bonds6

About 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one

1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one (PubChem CID 71395392) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one
PubChem CID71395392
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one
SMILESCC1CCCC(C)N1CC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO2/c1-17-7-6-8-18(2)23(17)15-21(24)16-25-22-13-11-20(12-14-22)19-9-4-3-5-10-19/h3-5,9-14,17-18H,6-8,15-16H2,1-2H3
InChIKeyXKHPDUPTIOTBIP-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylphenoxy)butan-2-one
CID 62041258
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 54786447
N-(cyclopropylmethyl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 95748502
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]acetic acid
CID 6994012
2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
CID 91351477
1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
CID 1294961

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one (CID 71395392) is 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one is CC1CCCC(C)N1CC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one?
The InChIKey is XKHPDUPTIOTBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-17-7-6-8-18(2)23(17)15-21(24)16-25-22-13-11-20(12-14-22)19-9-4-3-5-10-19/h3-5,9-14,17-18H,6-8,15-16H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one?
1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one has a molecular weight of 337.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one is sourced from PubChem (CID 71395392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).